the goodman group this list is a product of research in the Goodman Group;
it is not the official department of chemistry list of
academics or academic publications
university of cambridge  


List papers in: all subjects | Biological | Materials | Physical | Synthesis | Theory, Modelling and Informatics
Materials Publications (2004)


Selection Rules For Helicate Ligand Component Self-Assembly: Steric, Ph, Charge, And Solvent Effects.
Nitschke JR, Schultz D, Bernardinelli G, Gérard D
Journal of the American Chemical Society 2004, 126, 16538-16543 DOI: 10.1021/ja046001z


Lowest-Energy Structures Of (C-60)(N)X (X=Li+,Na+,K+,Cl-) And (C-60)(N)Ycl (Y=Li,Na,K) Clusters For N <= 13
Hernandez-Rojas J, Breton J, Llorente JMG, Wales DJ
Journal of Chemical Physics 2004, 121, 12315-12322 DOI: 10.1063/1.1819894


Preparation Of Enantiopure Butane-2,3-Diacetals Of Glycolic Acid And Alkylation Reactions Leading To Alpha-Hydroxyacid And Amide Derivatives.
Ley SV, Diez E, Dixon DJ, Guy RT, Michel P, Nattrass GL, Sheppard TD
Organic and Biomolecular Chemistry 2004, 2, 3608-3617 DOI: 10.1039/b412788a


Speed-Up Of Monte Carlo Simulations By Sampling Of Rejected States.
Frenkel D
Proceedings of the National Academy of Sciences of USA 2004, 101, 17571-17575 DOI: 10.1073/pnas.0407950101


Controllable Donor-Acceptor Neutral [2]Rotaxanes
Iijima T, Vignon SA, Tseng HR, Jarrosson T, Sanders JKM, Marchioni F, Venturi M, Apostoli E, Balzani V, Stoddart JF
Chemistry: A European Journal 2004, 10, 6375-6392 DOI: 10.1002/chem.200400651


Density Functional Calculation Of The Electronic Absorption Spectrum Of Cu+ And Ag+ Aqua Ions.
Bernasconi L, Blumberger J, Sprik M, Vuilleumier R
Journal of Chemical Physics 2004, 121, 11885-11899 DOI: 10.1063/1.1818676


Synthesis And Structure Determination Of A New Organically Templated Scandium Fluorophosphate Framework And Its Indium Analogue
Park HS, Bull I, Peng LM, Victor GYJ, Grey CP, Parise JB
Chemistry of Materials 2004, 16, 5350-5356 DOI: 10.1021/cm048764r


The Hydrophobic Effect As A Driving Force In The Self-Assembly Of A [2 X 2] Copper(I) Grid.
Nitschke JR, Hutin M, Bernardinelli G
Angewandte Chemie International Edition 2004, 43, 6724-6727 DOI: 10.1002/anie.200461308


Nickel Formate Route To The Growth Of Carbon Nanotubes
Geng J, Li HW, Golovko VB, Shephard DS, Jefferson DA, Johnson BFG, Hofmann S, Kleinsorge B, Robertson J, Ducati C
The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical 2004, 108, 18446-18450 DOI: 10.1021/jp047898p


Ternary Half-Metallics And Related Binary Compounds: Stoichiometry, Surface States, And Spin
Jenkins SJ
Physical Review B: Condensed Matter and Materials Physics 2004, 70, - DOI: 10.1103/PhysRevB.70.245401


Vertical Transport And Degradation Of Polycyclic Aromatic Hydrocarbons In An Alpine Valley
Kalberer M, Henne S, Prevot ASH, Steinbacher M
Atmospheric Environment 2004, 38, 6447-6456 DOI: 10.1016/j.atmosenv.2004.06.021


Biosynthesis Of Pantothenate.
Webb ME, Smith AG, Abell C
Natural Product Reports: a journal of current development in bioorganic chemistry 2004, 21, 695-721 DOI: 10.1039/b316419p


M-Oxo-Bis(M-2-Furanearboxylato)Bisn-Methyl-N,N-Bis(2-Pyridylmethyl)Amine]Iron(Iii)} Bis(Perchlorate) Methanol Solvate
Nielsen A, Bond AD, McKenzie CJ
Acta Crystallographica Section E: Structure Reports Online 2004, 60, M1959-M1960 DOI: 10.1107/S1600536804030375


Bis(2,2 ': 6 ',2 ''-Terpyridyl-Kappa N-3)Manganese(Ii) Dinitrate Dihydrate
Rompel A, Bond AD, McKenzie CJ
Acta Crystallographica Section E: Structure Reports Online 2004, 60, M1759-M1760 DOI: 10.1107/S1600536804027643


Effect Of Salt Bridges On The Energy Landscape Of A Model Protein.
Wales DJ, Dewsbury PE
Journal of Chemical Physics 2004, 121, 10284-10290 DOI: 10.1063/1.1810471


Selection Of A Pentameric Host In The Host-Guest Complexes [[[[P(Mu-Ntbu)]2(Mu-Nh)]5].I]-[Li(Thf)4]+ And [[[P(Mu-Ntbu)]2(Mu-Nh)]5].Hbr.Thf.
García F, Goodman JM, Kowenicki RA, Kuzu I, McPartlin M, Silva MA, Riera L, Woods AD, Wright DS
Chemistry: A European Journal 2004, 10, 6066-6072 DOI: 10.1002/chem.200400320


Three, Four And Five Interacting Electrons In A Spherical Box: An Exact Diagonalization Study Extended
Thompson DC, Alavi A
Journal of Physics: Condensed Matter 2004, 16, 7979-7994 DOI: 10.1088/0953-8984/16/45/020


A Molecular Dynamics Simulation Of The Melting Points And Glass Transition Temperatures Of Myo- And Neo-Inositol.
Watt SW, Chisholm JA, Jones W, Motherwell S
Journal of Chemical Physics 2004, 121, 9565-9573 DOI: 10.1063/1.1806792


Identification Of Organic Acids In Secondary Organic Aerosol And The Corresponding Gas Phase From Chamber Experiments.
Fisseha R, Dommen J, Sax M, Paulsen D, Kalberer M, Maurer R, Höfler F, Weingartner E, Baltensperger U
Analytical Chemistry 2004, 76, 6535-6540 DOI: 10.1021/ac048975f


Positional Disorder In Lattices: A Model For The Structural Order Responsible For The First Sharp Diffraction Peak In Glasses
Christie JK, Thraskin SN, Elliott SR
Journal of Physics: Condensed Matter 2004, 16, S5109-S5120 DOI: 10.1088/0953-8984/16/44/009


Cyclohexene Oxidation By Fe-, Co-, And Mn-Metalloporphyrins Supported On Aluminated Mesoporous Silica
Serwicka EM, Poltowicza J, Bahranowski KT, Olejniczak Z, Jones W
Applied Catalysis A: General 2004, 275, 9-14 DOI: 10.1016/j.apcata.2004.07.005


The Structural Characteristics Of Organozinc Complexes Incorporating N,N'-Bidentate Ligands.
Birch SJ, Boss SR, Cole SC, Coles MP, Haigh R, Hitchcock PB, Wheatley AE
Dalton Transactions: an international journal of inorganic chemistry 2004, , 3568-3574 DOI: 10.1039/b410945g


Syntheses, Structures And Magnetic Properties Of Mn(Ii) Dimers [Cpmn(Micro-X)]2(Cp = C5H5; X = Rnh, R1R2N, C[Triple Bond]Cr).
Alvarez CS, Boss SR, Burley JC, Humphry SM, Layfield RA, Kowenicki RA, McPartlin M, Rawson JM, Wheatley AE, Wood PT, Wright DS
Dalton Transactions: an international journal of inorganic chemistry 2004, , 3481-3487 DOI: 10.1039/B409135C


Direct Conversion Of Iron Stearate Into Magnetic Fe And Fe3C Nanocrystals Encapsulated In Polyhedral Graphite Cages.
Geng J, Jefferson DA, Johnson BF
Chemical Communications 2004, , 2442-2443 DOI: 10.1039/b406227b


Supramolecular Synthon Competition In Organic Sulfonates: A Csd Survey
Haynes DA, Chisholm JA, Jones W, Motherwell WDS
CrystEngComm 2004, 6, - DOI: 10.1039/b413797c


Cation And Spin Ordering In The N=1 Ruddlesden-Popper Phase La2Sr2Liruo8
Rodgers JA, Battle PD, Dupre N, Grey CP, Sloan J
Chemistry of Materials 2004, 16, 4257-4266 DOI: 10.1021/cm049053w


2-(P-Nitrophenoxy)Tetrahydropyran
Chopra R, Shan N, Motherwell WDS, Jones W
Acta Crystallographica Section E: Structure Reports Online 2004, 60, O1923-O1924 DOI: 10.1107/S1600536804023748


Determination Of The Surface Roughness And Refractive Index Of Amorphous As40S60 Films Deposited By Spin Coating
Gonzalez-Leal JM, Prieto-Alcon R, Stuchlik M, Vlcek M, Elliott SR, Marquez E
Optical Materials 2004, 27, 147-154 DOI: 10.1016/j.optmat.2004.02.021


Assessment Of Lattice Energy Minimization For The Prediction Of Molecular Organic Crystal Structures
Day GM, Chisholm J, Shan N, Motherwell WDS, Jones W
Crystal Growth and Design 2004, 4, 1327-1340 DOI: 10.1021/cg0498148


Tuning Of Redox Potentials For The Design Of Ruthenium Anticancer Drugs -- An Electrochemical Study Of [Trans-Rucl(4)L(Dmso)](-) And [Trans-Rucl(4)L(2)](-) Complexes, Where L = Imidazole, 1,2,4-Triazole, Indazole.
Reisner E, Arion VB, Guedes da Silva MF, Lichtenecker R, Eichinger A, Keppler BK, Kukushkin VY, Pombeiro AJ
Inorganic Chemistry: including bioinorganic chemistry 2004, 43, 7083-7093 DOI: 10.1021/ic049479c


Designing Specificity Of Protein-Substrate Interactions.
Coluzza I, Frenkel D
Physical Review E: Statistical, Nonlinear, and Soft Matter Physics 2004, 70, 051917-


Comparison Of The O-17 Nmr Spectra Of Zeolites Lta And Lsx
Readman JE, Grey CP, Ziliox M, Bull LM, Samoson A
Solid State Nuclear Magnetic Resonance 2004, 26, 153-159 DOI: 10.1016/j.ssnmr.2004.03.004


N-Methyl-N-(2-Pyridiniomethyl)-2-[N-(2-Pyridiniomethyl)Methylamino]-N-(2-Pyridylmethyl)Ethanaminium Tris(Perchlorate)
Rompel A, Bond AD, McKenzie CJ
Acta Crystallographica Section E: Structure Reports Online 2004, 60, O1987-O1988 DOI: 10.1107/S1600536804025103


Simulating Colloids With Baxter'S Adhesive Hard Sphere Model
Miller MA, Frenkel D
Journal of Physics: Condensed Matter 2004, 16, S4901-S4912 DOI: 10.1088/0953-8984/16/42/008


Aggregation Control By Homologous Tripodal Tetradentate Amino Acid Ligands In Oxo-Bridged Diiron(Iii) Aquo Complexes.
Mortensen MN, Jensen B, Hazell A, Bond AD, McKenzie CJ
Dalton Transactions: an international journal of inorganic chemistry 2004, , 3396-3402 DOI: 10.1039/B409559F


Multiple Areas Of Magnetic Bistability In The Toplogical Ferrimagnet [Co-3(Nc5H3(Co2)(2)-2,5)(2)(Mu(3)-Oh)(2)(Oh2)(2)]
Humphrey SM, Wood PT
Journal of the American Chemical Society 2004, 126, 13236-13237 DOI: 10.1021/ja0463511


The Crystal Structure Of An Unstable Polymorph Of Beta-D-Allose
Bonnet PA, van de Streek J, Trask AV, Motherwell WDS, Jones W
CrystEngComm 2004, 6, 535-539 DOI: 10.1039/b412962h


Influence Of The Foundation Layer On The Layer-By-Layer Assembly Of Poly-L-Lysine And Poly(Styrenesulfonate) And Its Usage In The Fabrication Of 3D Microscale Features.
Zhou D, Bruckbauer A, Batchelor M, Kang DJ, Abell C, Klenerman D
Langmuir: the ACS journal of surfaces and colloids 2004, 20, 9089-9094 DOI: 10.1021/la048619s


Role Of Nanostructured Dual-Oxide Supports In Enhanced Catalytic Activity: Theory Of Co Oxidation Over Au/Iro2/Tio2.
Liu ZP, Jenkins SJ, King DA
Physical Review Letters 2004, 93, 156102-


Analysis Of Cooperativity And Localization For Atomic Rearrangements.
Trygubenko SA, Wales DJ
Journal of Chemical Physics 2004, 121, 6689-6697 DOI: 10.1063/1.1794653


Measuring Bronsted Acid Densites In Zeolite Hy With Diphosphine Molecules And Solid State Nmr Spectroscopy
Peng LM, Chupas PJ, Grey CP
Journal of the American Chemical Society 2004, 126, 12254-12255 DOI: 10.1021/ja0467519


Structural Characteristics Of Positionally Disordered Lattices: Relation To The First Sharp Diffraction Peak In Glasses
Christie JK, Taraskin SN, Elliott SR
Physical Review B: Condensed Matter and Materials Physics 2004, 70, - DOI: 10.1103/PhysRevB.70.134207


Hydrothermal Synthesis And Structural Characterization Of A Novel Cadmium-Organic Framework
Paz FAA, Klinowski J
Journal of Solid State Chemistry 2004, 177, 3423-3432 DOI: 10.1016/j.jssc.2004.05.022


Carbon Nanotube Technology For Solid State And Vacuum Electronics
Teo KBK, Lacerda RG, Yang MH, Teh AS, Robinson LAW, Dalal SH, Rupesinghe NL, Chhowalla M, Lee SB, Jefferson DA, Hasko DG, Amaratunga GAJ, Milne WL, Legagneux P, Gangloff L, Minoux E, Schnell JP, Pribat D
IET Circuits, Devices and Systems 2004, 151, 443-451 DOI: 10.1049/ip-cds:20040408


Nmr Studies Of Cathode Materials For Lithium-Ion Rechargeable Batteries
Grey CP, Dupre N
Chemical Reviews 2004, 104, 4493-4512 DOI: 10.1021/cr020734p


A Simple Voltage Controlled Enzymatic Nanoreactor Produced In The Tip Of A Nanopipet
Bruckbauer A, Zhou DJ, Ying LM, Abell C, Klenerman D
Nano Letters: a journal dedicated to nanoscience and nanotechnology 2004, 4, 1859-1862 DOI: 10.1021/nl049029h


Homogeneous Nucleation Of Colloidal Melts Under The Influence Of Shearing Fields
Blaak R, Auer S, Frenkel D, Lowen H
Journal of Physics: Condensed Matter 2004, 16, S3873-S3884 DOI: 10.1088/0953-8984/16/38/007


Hydride Encapsulation By A Molecular Main-Group-Metal Cluster: Single-Crystal Neutron Diffraction Structure Of [{Ph(2-C5H4N}(6)Hli8](+)
Boss SR, Cole JM, Haigh R, Snaith R, Wheatley AEH, McIntyre GJ, Raithby PR
Organometallics 2004, 23, 4527-4530 DOI: 10.1021/om0496611


Entropy Of H2O Wetting Layers
Feibelman PJ, Alavi A
The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical 2004, 108, 14362-14367 DOI: 10.1021/jp049934q


The Formation Of Dimeric Phosph(Iii)Azane Macrocycles [[P(Mu-Ntbu)]2.Ll]2 [Ll = Organic Spacer].
García F, Kowenicki RA, Kuzu I, Riera L, McPartlin M, Wright DS
Dalton Transactions: an international journal of inorganic chemistry 2004, , 2904-2909 DOI: 10.1039/B409071C


The Steady State Of Heterogeneous Catalysis, Studied By First-Principles Statistical Mechanics
Reuter K, Frenkel D, Scheffler M
Physical Review Letters 2004, 93, - DOI: 10.1103/PhysRevLett.93.116105


Driving Forces For Self-Organized Coadsorption: C-6-H-6/2O And C-6-H-6/2Co On Ni{111}
Yamagishi S, Jenkins SJ, King DA
Journal of the American Chemical Society 2004, 126, 10962-10971 DOI: 10.1021/ja048589y


A Concise Total Synthesis Of (+)-Okaramine C.
Hewitt PR, Cleator E, Ley SV
Organic and Biomolecular Chemistry 2004, 2, 2415-2417 DOI: 10.1039/B410180D


Enantioselective Organocatalytic Cyclopropanation Via Ammonium Ylides.
Papageorgiou CD, Cubillo de Dios MA, Ley SV, Gaunt MJ
Angewandte Chemie International Edition 2004, 43, 4641-4644 DOI: 10.1002/anie.200460234


Automated System For The Study Of Volume Holographic Recording
Gonzalez-Leal JM, Krecmer P, Prokop J, Elliott SR
Review of Scientific Instruments 2004, 75, 2899-2902 DOI: 10.1063/1.1781367


Car Exhaust Catalysis From First Principles: Selective No Reduction Under Excess O2 Conditions On Ir.
Liu ZP, Jenkins SJ, King DA
Journal of the American Chemical Society 2004, 126, 10746-10756 DOI: 10.1021/ja0481833


5-Tert-Butyl-2-(N,N-Dimethylaminocarbonylthio)Isophthalaldehyde
McKenzie C, Bond AD
Acta Crystallographica Section E: Structure Reports Online 2004, 60, O1525-O1526 DOI: 10.1107/S1600536804019233


Liquid Water From First Principles: Investigation Of Different Sampling Approaches
Kuo IFW, Mundy CJ, McGrath MJ, Siepmann JI, VandeVondele J, Sprik M, Hutter J, Chen B, Klein ML, Mohamed F, Krack M, Parrinello M
The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical 2004, 108, 12990-12998 DOI: 10.1021/jp047788i


Photoluminescent Layered Lanthanide Silicates
Ananias D, Kostova M, Paz FAA, Ferreira A, Carlos LD, Klinowski J, Rocha J
Journal of the American Chemical Society 2004, 126, 10410-10417 DOI: 10.1021/ja047905n


The Preparation And Alkylation Of A Butanedione-Derived Chiral Glycine Equivalent And Its Use For The Synthesis Of Alpha-Amino Acids And Alpha,Alpha-Disubstituted Amino Acids
Harding CI, Dixon DJ, Ley SV
Tetrahedron 2004, 60, 7679-7692 DOI: 10.1016/j.tet.2004.06.063


First Observation Of Capping/Uncapping By A Ligand Of A Zn Porphyrin Adsorbed On Ag(100).
Vaughan OPH, Williams FJ, Knox KJ, Bampos N, Lambert RM
ACS National Meeting Book of Abstracts 2004, 228, U471-U472


Mutual Stabilization Between Imine Ligands And Copper(I) In Aqueous Solution.
Nitschke JR, Hutin M, Schultz D
ACS National Meeting Book of Abstracts 2004, 228, U820-U820


Reactivity Of Defects On Mineral Surfaces: A Multidisciplinary Approach.
Schoonen MA, Strongin DR, Cohn CA, Smirnov A, Lafters R, Hurowitz J, Michel FM, Mueller S, Wimmer E, Leifer ND, Grey CP
ACS National Meeting Book of Abstracts 2004, 228, U701-U701


Nmr Studies Of Iron And Manganese Oxyhydroxides.
Grey CP, Nielsen UG, Paik Y, Schoonen MA, Reeder RJ
ACS National Meeting Book of Abstracts 2004, 228, U702-U702


5-Pyrrolidin-2-Yltetrazole As An Asymmetric Organocatalyst For The Addition Of Ketones To Nitro-Olefins.
Cobb AJ, Longbottom DA, Shaw DM, Ley SV
Chemical Communications 2004, , 1808-1809 DOI: 10.1039/b409646k


Switchable Neutral Bistable Rotaxanes
Vignon SA, Jarrosson T, Iijima T, Tseng HR, Sanders JKM, Stoddart JF
Journal of the American Chemical Society 2004, 126, 9884-9885 DOI: 10.1021/ja048080k


Identification Of 4-Amino-4-Deoxychorismate Synthase As The Molecular Target For The Antimicrobial Action Of (6S)-6-Fluoroshikimate.
Bulloch EM, Jones MA, Parker EJ, Osborne AP, Stephens E, Davies GM, Coggins JR, Abell C
Journal of the American Chemical Society 2004, 126, 9912-9913 DOI: 10.1021/ja048312f


Synthesis Of The Thapsigargins.
Ley SV, Antonello A, Balskus EP, Booth DT, Christensen SB, Cleator E, Gold H, Högenauer K, Hünger U, Myers RM, Oliver SF, Simic O, Smith MD, Søhoel H, Woolford AJ
Proceedings of the National Academy of Sciences of USA 2004, 101, 12073-12078 DOI: 10.1073/pnas.0403300101


Hartree-Fock Exchange In Time Dependent Density Functional Theory: Application To Charge Transfer Excitations In Solvated Molecular Systems
Bernasconi L, Sprik M, Hutter J
Chemical Physics Letters 2004, 394, 141-146 DOI: 10.1016/j.cplett.2004.06.121


Chemical Evaluation Of Hypothetical Uninodal Zeolites
Foster MD, Friedrichs OD, Bell RG, Paz FAA, Klinowski J
Journal of the American Chemical Society 2004, 126, 9769-9775 DOI: 10.1021/ja037334j


Combined Neutron Diffraction, Nmr, And Electrochemical Investigation Of The Layered-To-Spinel Transformation In Limno2
Armstrong AR, Dupre N, Paterson AJ, Grey CP, Bruce PG
Chemistry of Materials 2004, 16, 3106-3118 DOI: 10.1021/cm034964b


First Observation Of Capping/Uncapping By A Ligand Of A Zn Porphyrin Adsorbed On Ag(100).
Williams FJ, Vaughan OP, Knox KJ, Bampos N, Lambert RM
Chemical Communications 2004, , 1688-1689 DOI: 10.1039/b407374f


Novel Phosphovanadate Layered Structure Assembled From A Tetrametallic Cubane-Like V-V Cluster
Shi FN, Paz FAA, Rocha J, Klinowski J, Trindade T
European Journal of Inorganic Chemistry 2004, , 3031-3037 DOI: 10.1002/ejic.200400249


Crystal Nucleation Of Colloidal Suspensions Under Shear
Blaak R, Auer S, Frenkel D, Lowen H
Physical Review Letters 2004, 93, - DOI: 10.1103/PhysRevLett.93.068303


Rhodium(I) And Palladium(Ii) Complexes With The Schiff Base 2,2'-Bis((4S)-4-Benzyl-2-Oxazoline)
Jones MD, Paz FAA, Davies JE, Raja R, Duer M, Klinowski J, Johnson BFG
Inorganica Chimica Acta 2004, 357, 3351-3359 DOI: 10.1016/j.ica.2004.03.034


Synthesis Of The [Meal(2-Py)(3)](-) Anion And Its Application As A Stable And Mild Pyridyl-Transfer Reagent (2-Py=2-Pyridyl)
Garcia F, Hopkins AD, Kowenicki RA, McPartlin M, Rogers MC, Wright DS
Organometallics 2004, 23, 3884-3890 DOI: 10.1021/om049749z


Radiocarbon (C-14)-Deduced Biogenic And Anthropogenic Contributions To Organic Carbon (Oc) Of Urban Aerosols From Zurich, Switzerland
Szidat S, Jenk TM, Gaggeler HW, Synal HA, Fisseha R, Baltensperger U, Kalberer M, Samburova V, Reimann S, Kasper-Giebl A, Hajdas I
Atmospheric Environment 2004, 38, 4035-4044 DOI: 10.1016/j.atmosenv.2004.03.066


C-13 And 2Dwise Nmr Studies Of The Host Mobility In Two Aromatic Complexes Of P-Tert-Butyl-Calixarene
Benevelli F, Khimyak YZ, Klinowski J
Journal of Inclusion Phenomena and Molecular Recognition in Chemistry 2004, 49, 211-218


Novel Luminescent Materials Based On Silica Doped With An Europium(Iii) Complex Of 2,6-Dihydroxybenzoic Acid - The Crystal Structure Of [(Bu4N)-Bu-N](2)[Eu(2,6-Hdhb)(5)(H2O)(2)]
Soares-Santos PCR, Nogueira HIS, Paz FAA, Ferreira RAS, Carlos LD, Klinowski J, Trindade T
Journal of Alloys and Compounds 2004, 374, 344-348 DOI: 10.1016/j.jallcom.2003.11.114


Li-7 And V-51 Mas Nmr Study Of The Electrochemical Behavior Of Li1-Xv3O8
Dupre N, Gaubicher J, Guyomard D, Grey CP
Chemistry of Materials 2004, 16, 2725-2733 DOI: 10.1021/cm034845w


Folding Of The Gb1 Hairpin Peptide From Discrete Path Sampling.
Evans DA, Wales DJ
Journal of Chemical Physics 2004, 121, 1080-1090 DOI: 10.1063/1.1759317


Discrete Solution Of The Electrokinetic Equations.
Capuani F, Pagonabarraga I, Frenkel D
Journal of Chemical Physics 2004, 121, 973-986 DOI: 10.1063/1.1760739


Mixing Behaviour Of Carboxylic Acids Adsorbed On Graphite
Bickerstaffe A, Messe L, Clarke SM, Parker J, Perdigon A, Cheah NP, Inaba A
Physical Chemistry Chemical Physics 2004, 6, 3545-3550 DOI: 10.1039/b403957b


Design And Characterisation Of An Artificial Dna-Binding Cytochrome.
Jones DD, Barker PD
ChemBioChem: a European journal of chemical biology 2004, 5, 964-971 DOI: 10.1002/cbic.200300569


Correlation Between Host-Guest Binding And Host Amplification In Simulated Dynamic Combinatorial Libraries
Corbett PT, Otto S, Sanders JKM
Chemistry: A European Journal 2004, 10, 3139-3143 DOI: 10.1002/chem.200400300


Synthesis And Characterisation Of The First Three-Dimensional Mixed-Metal-Center Inorganic-Organic Hybrid Framework With N-(Phosphonomethyl)Iminodiacetate
Paz FAA, Shi FN, Klinowski J, Rocha J, Trindade T
European Journal of Inorganic Chemistry 2004, , 2759-2768 DOI: 10.1002/ejic.200400005


Phase Diagram Of The Adhesive Hard Sphere Fluid.
Miller MA, Frenkel D
Journal of Chemical Physics 2004, 121, 535-545 DOI: 10.1063/1.1758693


N,N-Bis[2-(2-Pyridyl)Ethyl]Hydroxylamine
Bjernemose JK, Bond AD
Acta Crystallographica Section E: Structure Reports Online 2004, 60, O1143-O1144 DOI: 10.1107/S1600536804013534


2,6-Bis[Bis(2-Pyridyl)Hydroxymethyl]Pyridine
Gorlitz JJ, Nielsen P, Toftlund H, Bond AD
Acta Crystallographica Section E: Structure Reports Online 2004, 60, O1319-O1320 DOI: 10.1107/S1600536804016368


[Li-Si-O]-Mfi: A New Microporous Lithosilicate With The Mfi Topology
Park SH, Liu HM, Kleinsorge M, Grey CP, Toby BH, Parise JB
Chemistry of Materials 2004, 16, 2605-2614 DOI: 10.1021/cm049861n


Two- And Three-Dimensional Cadmium-Organic Frameworks With Trimesic Acid And 4,4'-Trimethylenedipyridine.
Almeida Paz FA, Klinowski J
Inorganic Chemistry: including bioinorganic chemistry 2004, 43, 3882-3893 DOI: 10.1021/ic049523o


Synthesis And Characterization Of A Novel Cadmium-Organic Framework With Trimesic Acid And 1,2-Bis(4-Pyridyl)Ethane.
Almeida Paz FA, Klinowski J
Inorganic Chemistry: including bioinorganic chemistry 2004, 43, 3948-3954 DOI: 10.1021/ic049794z


Syntheses Of Syn And Anti Doublebent [5]Phenylene.
Bong DT, Chan EW, Diercks R, Dosa PI, Haley MM, Matzger AJ, Miljanić OS, Vollhardt KP, Bond AD, Teat SJ, Stanger A
Organic Letters 2004, 6, 2249-2252 DOI: 10.1021/ol049225v


Solid State C-13 Cp Mas Nmr Study Of Molecular Motions And Interactions Of Urea Adsorbed On Cotton Cellulose
Kristensen JH, Bampos N, Duer M
Physical Chemistry Chemical Physics 2004, 6, 3175-3183 DOI: 10.1039/b403537b


Why Is Silver Catalytically Active For No Reduction? A Unique Pathway Via An Inverted (No)2 Dimer.
Liu ZP, Jenkins SJ, King DA
Journal of the American Chemical Society 2004, 126, 7336-7340 DOI: 10.1021/ja049126c


Self-Assembly Using Dynamic Combinatorial Chemistry
Sanders JKM
Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 2004, 362, 1239-1245


New Results For Phase Transitions From Catastrophe Theory.
Bogdan TV, Wales DJ
Journal of Chemical Physics 2004, 120, 11090-11099 DOI: 10.1063/1.1740756


Effect Of Metastable Liquid - Liquid Demixing On The Morphology Of Nucleated Polymer Crystals
Hu WB, Frenkel D
Macromolecules 2004, 37, 4336-4338 DOI: 10.1021/ma049581t


Hydrothermal Synthesis And Magnetic Properties Of Novel Mn(Ii) And Zn(Ii) Materials With Thiolato-Carboxylate Donor Ligand Frameworks.
Humphrey SM, Mole RA, Rawson JM, Wood PT
Dalton Transactions: an international journal of inorganic chemistry 2004, , 1670-1678 DOI: 10.1039/b401887g


Mutual Stabilization Between Imine Ligands And Copper(I) Ions In Aqueous Solution.
Nitschke JR
Angewandte Chemie International Edition 2004, 43, 3073-3075 DOI: 10.1002/anie.200454082


(1R,4S,5R)-3-Fluoro-1,4,5-Trihydroxy-2-Cyclohexene-1-Carboxylic Acid: The Fluoro Analogue Of The Enolate Intermediate In The Reaction Catalyzed By Type Ii Dehydroquinases.
Frederickson M, Roszak AW, Coggins JR, Lapthorn AJ, Abell C
Organic and Biomolecular Chemistry 2004, 2, 1592-1596 DOI: 10.1039/b404535a


Ab Initio Molecular Dynamics Study Of Uracil In Aqueous Solution
Gaigeot MP, Sprik M
The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical 2004, 108, 7458-7467 DOI: 10.1021/jp049940m


H-2 Mas Nmr Studies Of Deuterated Goethite (Alpha-Feood)
Cole KE, Paik Y, Reeder RJ, Schoonen M, Grey CP
The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical 2004, 108, 6938-6940


An Addressable Antibody Nanoarray Produced On A Nanostructured Surface.
Bruckbauer A, Zhou D, Kang DJ, Korchev YE, Abell C, Klenerman D
Journal of the American Chemical Society 2004, 126, 6508-6509 DOI: 10.1021/ja0317426


Melting Of Polydisperse Hard Disks.
Pronk S, Frenkel D
Physical Review E: Statistical, Nonlinear, and Soft Matter Physics 2004, 69, 066123-


Free Energy Of Oxidation Of Metal Aqua Ions By An Enforced Change Of Coordination
Blumberger J, Sprik M
The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical 2004, 108, 6529-6535 DOI: 10.1021/jp036610d


What Are The Limits To The Size Of Effective Dynamic Combinatorial Libraries?
Corbett PT, Otto S, Sanders JKM
Organic Letters 2004, 6, 1825-1827 DOI: 10.1021/ol049398k


Self-Poisoning Of Crystal Nuclei In Hard-Rod Liquids
Schilling T, Frenkel D
Journal of Physics: Condensed Matter 2004, 16, S2029-S2036 DOI: 10.1088/0953-8984/16/19/014


Multi-Step Application Of Immobilized Reagents And Scavengers: A Total Synthesis Of Epothilone C.
Storer RI, Takemoto T, Jackson PS, Brown DS, Baxendale IR, Ley SV
Chemistry: A European Journal 2004, 10, 2529-2547 DOI: 10.1002/chem.200305669


Supercooled Lennard-Jones Liquids And Glasses: A Kinetic Monte Carlo Approach
Hernandez-Rojas J, Wales DJ
Journal of Non-Crystalline Solids 2004, 336, 218-222 DOI: 10.1016/j.jnoncrysol.2004.01.012


Surface Modification Of Fluorinated Aluminas: Application Of Solid State Nmr Spectroscopy To The Study Of Acidity And Surface Structure
Chupas PJ, Grey CP
Journal of Catalysis 2004, 224, 69-79 DOI: 10.1016/j.jcat.2004.02.013


Theory Of Methane Dehydrogenation On Pt{110}(1X2). Part Ii: Microscopic Reaction Pathways For Chx -> Chx-1(X=1-3)
Petersen MA, Jenkins SJ, King DA
The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical 2004, 108, 5920-5929 DOI: 10.1021/jp037881r


Theory Of Methane Dehydrogenation On Pt{110}(1X2). Part 1: Chemisorption Of Chx (X=0-3)
Petersen MA, Jenkins SJ, King DA
The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical 2004, 108, 5909-5919 DOI: 10.1021/jp037880z


An Intramolecular Organocatalytic Cyclopropanation Reaction.
Bremeyer N, Smith SC, Ley SV, Gaunt MJ
Angewandte Chemie International Edition 2004, 43, 2681-2684


Some Further Applications Of Discrete Path Sampling To Cluster Isomerization
Wales DJ
Molecular Physics: an international journal in the field of chemical physics 2004, 102, 891-908 DOI: 10.1080/00268970410001703363


Field-Evaporation From First-Principles
Sanchez CG, Lozovoi AY, Alavi A
Molecular Physics: an international journal in the field of chemical physics 2004, 102, 1045-1055 DOI: 10.1080/00268970410001727673


Ammonium Cyanate: A Dft Study Of Crystal Structure, Rotational Barriers And Vibrational Spectrum
Alavi A, Brown RJC, Habershon S, Harris KDM, Johnston RL
Molecular Physics: an international journal in the field of chemical physics 2004, 102, 869-876 DOI: 10.1080/00268970410001695679


Thermodynamic/Kinetic Control In The Isomerization Of The [[Tbunp(Mu-Ntbu)]2]2- Ion.
Bond AD, Doyle EL, García F, Kowenicki RA, Moncrieff D, McPartlin M, Riera L, Woods AD, Wright DS
Chemistry: A European Journal 2004, 10, 2271-2276 DOI: 10.1002/chem.200305762


Fully Automated Polymer-Assisted Synthesis Of 1,5-Biaryl Pyrazoles.
Vickerstaffe E, Warrington BH, Ladlow M, Ley SV
Journal of Combinatorial Chemistry 2004, 6, 332-339 DOI: 10.1021/cc049977g


Development Of An Indole Safety-Catch Linker Using Analytical Constructs.
Scicinski JJ, Congreve MS, Ley SV
Journal of Combinatorial Chemistry 2004, 6, 375-384 DOI: 10.1021/cc0499791


Analysis Of Size-Segregated Aerosol-Bound Polycyclic Aromatic Hydrocarbons With High Time Resolution Using Two-Step Laser Mass Spectrometry.
Emmenegger C, Kalberer M, Samburova V, Zenobi R
The Analyst 2004, 129, 416-420 DOI: 10.1039/b401201A


Comparison Of Kinetic Monte Carlo And Molecular Dynamics Simulations Of Diffusion In A Model Glass Former.
Middleton TF, Wales DJ
Journal of Chemical Physics 2004, 120, 8134-8143 DOI: 10.1063/1.1690241


Multiple Stalk Formation As A Pathway Of Defect-Induced Membrane Fusion.
Lukatsky DB, Frenkel D
European Physical Journal E: Soft Matter 2004, 14, 3-6 DOI: 10.1140/epje/i2004-10005-5


Electron Correlation In A Hard Spherical External Potential: Wigner Molecule Formation And Hybridization
Thompson DC, Alavi A
Physical Review B: Condensed Matter and Materials Physics 2004, 69, - DOI: 10.1103/PhysRevB.69.201302


Diethyl 2,5-Bis(Triisopropylsilylethynyl)-Terephthalate
Nicolaisen B, Bond AD, Nielsen MB
Acta Crystallographica Section E: Structure Reports Online 2004, 60, o784-o785 DOI: 10.1107/S1600536804008311


[2-(N,N-Dimethylamino)-5-Methylphenyl]Diphenylmethanol
Kranholm LB, Bond AD, McKenzie CJ
Acta Crystallographica Section E: Structure Reports Online 2004, 60, O846-O847 DOI: 10.1107/S1600536804009614


(1R,2R)-1,3-Bis(Tert-Butyidimethylsilyloxy)-2-(4-Hydroxybutanamido)-1-(4-Nitrophenyl)-Propane
Johansson D, Larsen FB, Bond AD, Nielsen P
Acta Crystallographica Section E: Structure Reports Online 2004, 60, O907-O908 DOI: 10.1107/S1600536804009870


A Doubly Nudged Elastic Band Method For Finding Transition States (Vol 120, Pg 2082, 2004)
Trygubenko SA, Wales DJ
Journal of Chemical Physics 2004, 120, 7820-7820 DOI: 10.1063/1.1691408


Anomeric Oxygen To Carbon Rearrangements Of Alkynyl Tributylstannane Derivatives Of Furanyl (Gamma)- And Pyranyl (Delta)-Lactols.
Buffet MF, Dixon DJ, Ley SV, Reynolds DJ, Storer RI
Organic and Biomolecular Chemistry 2004, 2, 1145-1154 DOI: 10.1039/b316858a


Probing Local And Long-Range Structure Simultaneously: An In Situ Study Of The High-Temperature Phase Transition Of Alpha-Alf3
Chupas PJ, Chaudhuri S, Hanson JC, Qiu XY, Lee PL, Shastri SD, Billinge SJL, Grey CP
Journal of the American Chemical Society 2004, 126, 4756-4757 DOI: 10.1021/ja031553n


Structural Motifs In Secondary Ammonium Halides: Ring-Stacking And Ring-Laddering In The Organic Solid State.
Bond AD
Chemistry: A European Journal 2004, 10, 1885-1898 DOI: 10.1002/chem.200305700


The Formation Of Solid Monolayers Of Linear Amines Adsorbed On Graphite From The Liquid
Cheah NP, Messe L, Clarke SM
The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical 2004, 108, 4466-4469 DOI: 10.1021/jp037497u


Large Effect Of Polydispersity On Defect Concentrations In Colloidal Crystals.
Pronk S, Frenkel D
Journal of Chemical Physics 2004, 120, 6764-6768 DOI: 10.1063/1.1667880


Solvent-Drop Grinding: Green Polymorph Control Of Cocrystallisation.
Trask AV, Motherwell WD, Jones W
Chemical Communications 2004, , 890-891 DOI: 10.1039/b400978a


Synthesis Of Polymer Dielectric Layers For Organic Thin Film Transistors Via Surface-Initiated Ring-Opening Metathesis Polymerization.
Rutenberg IM, Scherman OA, Grubbs RH, Jiang W, Garfunkel E, Bao Z
Journal of the American Chemical Society 2004, 126, 4062-4063 DOI: 10.1021/ja035773c


Selective Formation Of The [Php(H)-Pph]- Anion In The Reaction Of Phphli With Mealcl(2); Synthesis And Structure Of The Unusual Tetramer [(Php(H)-Pph)Li.Thf]4.
Garcia F, Humphrey SM, Kowenicki RA, McPartlin M, Wright DS
Dalton Transactions: an international journal of inorganic chemistry 2004, , 977-979 DOI: 10.1039/b402295e


A Novel Phase-Switching Protecting Group For Multi-Step Parallel Solution Phase Synthesis.
Li X, Abell C, Congreve MS, Warrington BH, Ladlow M
Organic and Biomolecular Chemistry 2004, 2, 989-998 DOI: 10.1039/b400110a


Grignard Additions To 2-Uloses: Synthesis Of Stereochemically Pure Tertiary Alcohols
Cleator E, McCusker CF, Steltzer F, Ley SV
Tetrahedron Letters 2004, 45, 3077-3080 DOI: 10.1016/j.tetlet.2004.02.106


Controlling Chemoselectivity In The Lithiation Of Substituted Aromatic Tertiary Amides
Armstrong DR, Boss SR, Clayden J, Haigh R, Kirmani BA, Linton DJ, Schooler P, Wheatley AEH
Angewandte Chemie International Edition 2004, 43, 2135-2138 DOI: 10.1002/anie.200353324


Indomethacin Methyl Ester
Trask AV, Shan N, Jones W, Motherwell WDS
Acta Crystallographica Section E: Structure Reports Online 2004, 60, O508-O509 DOI: 10.1107/S1600536804004453


Simulation Of Physical Properties Of The Chalcogenide Glass As2S3 Using A Density-Functional-Based Tight-Binding Method
Simdyankin SI, Elliott SR, Hajnal Z, Niehaus TA, Frauenheim T
Physical Review B: Condensed Matter and Materials Physics 2004, 69, - DOI: 10.1103/PhysRevB.69.144202


Chemically Feasible Hypothetical Crystalline Networks
Foster MD, Simperler A, Bell RG, Friedrichs OD, Paz FAA, Klinowski J
Nature Materials 2004, 3, 234-238 DOI: 10.1038/nmat1090


An Ab Initio Study Of Tunneling Splittings In The Water Dimer
Watanabe Y, Taketsugufoot T, Wales DJ
Journal of Chemical Physics 2004, 120, 5993-5999 DOI: 10.1063/1.1651058


A New Low-Temperature Synthesis Of Zintl Compounds
Hopkins AD, Wright DS
Phosphorus Sulfur and Silicon and the Related Elements 2004, 179, 737-742 DOI: 10.1080/10426500490426719


Recent Developments In The Synthetic And Structural Chemistry Of Lithium Zincates
Wheatley AEH
New Journal of Chemistry 2004, 28, 435-443 DOI: 10.1039/b314042c


Toward An Understanding Of The Oxygen Scavenging Properties Of Lithium Zincates
Boss SR, Haigh R, Linton DJ, Wheatley AEH
Phosphorus Sulfur and Silicon and the Related Elements 2004, 179, 929-930


Small Molecule Fixation By A Sulfur-Nitrogen Radical
Bond AD, Clarke CS, Haynes DA, Pascu SI, Rawson JM
Phosphorus Sulfur and Silicon and the Related Elements 2004, 179, 981-982 DOI: 10.1080/10426500490429644


Electronic Structure And Solvation Of Copper And Silver Ions: A Theoretical Picture Of A Model Aqueous Redox Reaction.
Blumberger J, Bernasconi L, Tavernelli I, Vuilleumier R, Sprik M
Journal of the American Chemical Society 2004, 126, 3928-3938 DOI: 10.1021/ja0390754


Onset Of Heterogeneous Crystal Nucleation In Colloidal Suspensions.
Cacciuto A, Auer S, Frenkel D
Nature 2004, 428, 404-406 DOI: 10.1038/nature02397


Simulation Study Of Intra- And Intermicellar Ordering In Triblock-Copolymer Systems.
Wijmans CM, Eiser E, Frenkel D
Journal of Chemical Physics 2004, 120, 5839-5848 DOI: 10.1063/1.1649730


Study Of The Nature And Mechanism Of The Rhombohedral-To-Cubic Phase Transition In Alpha-Alf3 With Molecular Dynamics Simulations
Chaudhuri S, Chupas PJ, Wilson M, Madden P, Grey CP
The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical 2004, 108, 3437-3445 DOI: 10.1021/jp034533g


Cubatic Phase For Tetrapods
Blaak R, Mulder BM, Frenkel D
Journal of Chemical Physics 2004, 120, 5486-5492 DOI: 10.1063/1.1649733


Identification Of Polymers As Major Components Of Atmospheric Organic Aerosols.
Kalberer M, Paulsen D, Sax M, Steinbacher M, Dommen J, Prevot AS, Fisseha R, Weingartner E, Frankevich V, Zenobi R, Baltensperger U
Science 2004, 303, 1659-1662 DOI: 10.1126/science.1092185


Novel Ruthenium(Ii) Diamine Complexes
Jones MD, Paz FAA, Davies JE, Raja R, Klinowski J, Johnson BFG
Inorganica Chimica Acta 2004, 357, 1247-1255 DOI: 10.1016/j.ica.2003.10.014


Catalytic Polymer-Supported Potassium Thiophenolate In Methanol As A Method For The Removal Of Ester, Amide, And Thioacetate Protecting Groups
MacCoss RN, Henry DJ, Brain CT, Ley SV
Synlett: accounts and rapid communications in synthetic organic chemistry 2004, , 675-678 DOI: 10.1055/s-2004-817786


Steric Control In The Oligomerisation Of Phosphazane Dimers; Towards New Phosphorus-Nitrogen Macrocycles.
Doyle EL, García F, Humphrey SM, Kowenicki RA, Riera L, Woods AD, Wright DS
Dalton Transactions: an international journal of inorganic chemistry 2004, , 807-812 DOI: 10.1039/b314790h


Micro-Nano Actuators Driven By Polarised Light
Stuchlik M, Krecmer P, Elliott SR
IET Science, Measurement and Technology 2004, 151, 131-136 DOI: 10.1049/ip-smt:20040073


High-Pressure Diamondlike Liquid Carbon
Ghiringhelli LM, Los JH, Meijer EJ, Fasolino A, Frenkel D
Physical Review B: Condensed Matter and Materials Physics 2004, 69, - DOI: 10.1103/PhysRevB.69.100101


Insight Into H2O-Ice Adsorption And Dissociation On Metal Surfaces From First-Principles Simulations
Michaelides A, Alavi A, King DA
Physical Review B: Condensed Matter and Materials Physics 2004, 69, - DOI: 10.1103/PhysRevB.69.113404


Self-Poisoning Of Crystal Nuclei In Hard-Rod Liquids.
Schilling T, Frenkel D
Physical Review Letters 2004, 92, 085505-


Polymer-Assisted, Multi-Step Solution Phase Synthesis And Biological Screening Of Histone Deacetylase Inhibitors.
Bapna A, Vickerstaffe E, Warrington BH, Ladlow M, Fan TP, Ley SV
Organic and Biomolecular Chemistry 2004, 2, 611-620 DOI: 10.1039/b313414h


5-Pyrrolidin-2-Yltetrazole: A New, Catalytic, More Soluble Alternative To Proline In An Organocatalytic Asymmetric Mannich-Type Reaction
Cobb AJA, Shaw DM, Ley SV
Synlett: accounts and rapid communications in synthetic organic chemistry 2004, , 558-560 DOI: 10.1055/s-2004-817745


Phase Behavior And Selectivity Of Dna-Linked Nanoparticle Assemblies.
Lukatsky DB, Frenkel D
Physical Review Letters 2004, 92, 068302-


Surface Infra-Red Emission During Alkaki-Metal Incorporation At An Oxide Surface
Hou YC, Jenkins SJ, King DA
Surface Science 2004, 550, L27-L32 DOI: 10.1016/j.susc.2003.11.043


Numerical Prediction Of Absolute Crystallization Rates In Hard-Sphere Colloids
Auer S, Frenkel D
Journal of Chemical Physics 2004, 120, 3015-3029 DOI: 10.1063/1.1638740


The First Example Of A Si-Bridged Tris(Pyridyl) Ligand; Synthesis And Structure Of [Mesi(2-C5H4N)3Lix](X = 0.2Br, 0.8Cl).
García F, Hopkins AD, Humphrey SM, McPartlin M, Rogers MC, Wright DS
Dalton Transactions: an international journal of inorganic chemistry 2004, , 361-362 DOI: 10.1039/b315503j


Electronic Structure Of A Stepped Semiconductor Surface: Density Functional Theory Of Si(114)-(2X1)
Smardon RD, Srivastava GP, Jenkins SJ
Physical Review B: Condensed Matter and Materials Physics 2004, 69, - DOI: 10.1103/PhysRevB.69.085303


A Doubly Nudged Elastic Band Method For Finding Transition States.
Trygubenko SA, Wales DJ
Journal of Chemical Physics 2004, 120, 2082-2094 DOI: 10.1063/1.1636455


Method To Determine The Spring Constant Of Atomic Force Microscope Cantilevers
Gibson CT, Johnson DJ, Anderson C, Abell C, Rayment T
Review of Scientific Instruments 2004, 75, 565-567 DOI: 10.1063/1.1642750


Hypothetical Uninodal Zeolite Structures: Comparison Of Alpo4 And Sio2 Compositions Using Computer Simulation
Simperler A, Foster MD, Bell RG, Klinowski J
The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical 2004, 108, 869-879 DOI: 10.1021/jp035936j


Microwave Assisted Leimgruber-Batcho Reaction For The Preparation Of Indoles, Azaindoles And Pyrroylquinolines.
Siu J, Baxendale IR, Ley SV
Organic and Biomolecular Chemistry 2004, 2, 160-167 DOI: 10.1039/b313012f


Fast Racemisation And Slow Epimerisation Of Laterally Lithiated Amides: Stereochemical Evidence For The Mechanism Of Inversion Of Amide-Substituted Benzyllithiums
Clayden J, Stimson CC, Keenan M, Wheatley AEH
Chemical Communications 2004, , 228-229 DOI: 10.1039/b310963a


Multiple Histogram Method And Static Monte Carlo Sampling
Inda MA, Frenkel D
Macromolecular Theory and Simulations 2004, 13, 36-43 DOI: 10.1002/mats.200350040


Preparation Of Butane-1,2-Diacetal-Protected L-Glyceraldehyde From D-Mannitol
Ley SV, Michel P
Synthesis: journal of synthetic organic chemistry 2004, , 147-150


The Synthesis Of (-)-Gloeosporone, A Potent Fungal Autoinhibitor Of Spore Germination Using A Pi-Allyltricarbonyl-Iron Lactone Complex And A New Reductive Decomplexation Procedure For The Installation Of The Embedded 1,7-Diol Component Of The Natural Product
Cleator E, Harter J, Ley SV
Heterocycles 2004, 62, 619-633


The First Lewis Acid-Catalyzed Allylboronate Additions To Aldehydes
Brittain DEA, Ley SV
Chemtracts 2004, 17, 620-626


Studies On The Generation Of Enolate Anions From Butane-2,3-Diacetal Protected Glycolic Acid Derivatives And Subsequent Highly Diastereoselective Coupling Reactions With Aldehydes And Acid Chlorides
Ley SV, Dixon DJ, Guy RT, Palomero MA, Polara A, Rodriguez F, Sheppard TD
Organic and Biomolecular Chemistry 2004, 2, 3618-3627 DOI: 10.1029/b412790k


Modern Synthetic Methods For Copper-Mediated C(Aryl)-O, C(Aryl)N, And C(Aryl)-S Bond Formation (Vol 42, Pg 5400, 2003)
Ley SV, Thomas AW
Angewandte Chemie International Edition 2004, 43, 1043-1043


Evolving Cascades: The Claisen Rearrangement In The Development Of Tandem Sequences Of Three Or More Reactions
Gray BL, Ley SV
Chemtracts 2004, 17, 235-241


Erratum: Modern Synthetic Methods For Copper-Mediated C(Aryl)-O, C(Aryl)-N, And C(Aryl)-S Bond Formation (Angewandte Chemei - International Edition (2003) 42 (5400-5449))
Ley SV, Thomas AW
Angewandte Chemie International Edition 2004, 43, 1043-


Atomic Vibrations In Disordered Systems: Comparison Of Disordered Diamond Lattices And A Realistic Amorphous Silicon Model
Christie JK, Taraskin SN, Elliott SR
2004, , 2904-2907 DOI: 10.1002/pssc.200405362


Water-Soluble Hydroxyalkylated Phosphines: Examples Of Their Differing Behaviour Toward Ruthenium And Rhodium
Higham LJ, Whittlesey MK, Wood PT
Dalton Transactions: an international journal of inorganic chemistry 2004, , 4202-4208 DOI: 10.1039/b411701h


Source Apportionment Of Aerosols By C-14 Measurements In Different Carbonaceous Particle Fractions
Szidat S, Jenk TM, Gaggeler HW, Synal HA, Fisseha R, Baltensperger U, Kalberer M, Samburova V, Wacker L, Saurer M, Schwikowski M, Hajdas I
Radiocarbon: an international journal of cosmogenic isotope research 2004, 46, 475-484


Polymers In Secondary Organic Aerosols
Kalberer M, Paulsen D, Sax M, Steinbacher M, Dommen J, Prevot ASH, Fissehy R, Weingartner E, Frankevich V, Samburova V, Zenobi R, Baltensperger U
Journal of Aerosol Science 2004, 35, S1235-S1236


Ru(Ii) And Rh(Iii) Porphyrin Complexes Of Primary Phosphine-Substituted Porphyrins
Stulz E, Maue M, Scott SM, Mann BE, Sanders JKM
New Journal of Chemistry 2004, 28, 1066-1072 DOI: 10.1039/b402083a


Lithium-Templated Synthesis Of A Donor-Acceptor Pseudorotaxane And Catenane
Kaiser G, Jarrosson T, Otto S, Ng YF, Bond AD, Sanders JKM
Angewandte Chemie International Edition 2004, 43, 1959-1962 DOI: 10.1002/anie.200353075


Synthesis, Characterization And Crystal Structure Of A Novel Europium(Iii) Supramolecular Compound: {[Eu(Ch3Oh)6(H2O) 2] [Pmo12O40]}· (C14H 20O5)2·(Ch3Oh) 2·(Ch3Cn)2
Sousa FL, Paz FAA, Soares-Santos PCR, Cavaleiro AMV, Nogueira HIS, Klinowski J, Trindade T
Journal of Molecular Structure 2004, 689, 61-67 DOI: 10.1016/j.molstruc.2003.10.020


Novel Microporous Luminescenteuropium(Iii) Silicate
Rocha J, Carlos LD, Paz FAA, Ananias D, Klinowski J
Studies in Surface Science and Catalysis 2004, 154, 3028-3035


Novel Cerium(Iv) Heteropolyoxotungstate Containing Two Types Of Lacunary Keggin Anions
Sousa FL, Paz FAA, Cavaleiro AMV, Klinowski J, Nogueira HIS
Chemical Communications 2004, , 2656-2657 DOI: 10.1039/b409034a


Lanthanide Compounds Containing A Benzo-15-Crown-5 Derivatised [60]Fullerene And The Related [Tb(H2O)(3)(No3)(2)(Acac)]. C14H20O5 Supramolecular Adduct
Soares-Santos PCR, Trindade T, Tome AC, Rocha J, Ferreira RAS, Carlos LD, Paz FAA, Klinowski J, Nogueira HIS
New Journal of Chemistry 2004, 28, 1352-1358 DOI: 10.1039/b410068a


In Situ Ftir Study Of The Thermal Treatment On Boron Containing Mesoporous Molecular Sieve Mcm-41
Zhang C, Wang YL, Xie ZE, Guan N, Liu S, Luan Z, Klinowski J
Studies in Surface Science and Catalysis 2004, 154, 1485-1489


Characterisation And Evaluation Of Hypothetical Zeolite Frameworks
Bell RG, Foster MD, Simperler A, Klinowski J
Studies in Surface Science and Catalysis 2004, 154, 1222-1229


A Novel Supramolecular Organic-Inorganic Adduct Containing Alpha-Keggin-Type [Pw12O40](3-) Anions And Benzo-15-Crown-5 Molecules
Paz FAA, Sousa FL, Soares-Santos PCR, Cavaleiro AMV, Nogueira HIS, Klinowski J, Trindade T
Acta Crystallographica Section E: Structure Reports Online 2004, 60, M1-M5 DOI: 10.1107/S1600536803024310


The Dynamics Of Conformational Isomerization In Flexible Biomolecules. Ii. Simulating Isomerizations In A Supersonic Free Jet With Master Equation Dynamics.
Evans DA, Wales DJ, Dian BC, Zwier TS
Journal of Chemical Physics 2004, 120, 148-157 DOI: 10.1063/1.1626541


Folding Of The Gb1 Hairpin Peptide From Discrete Path Sampling
Evans DA, Wales DJ
2004, 121, 1080-1090-1080-1090


Synthesis And Structure Of [{Sn2(μ-Pmes)3}K 2·3Thf]∞, Exhibiting Multifunctional Coordination Of [Sn2(μ-Pmes)3]2- Anions To K+
García F, Hopkins AD, Humphrey SM, McPartlin M, Pask CM, Woods AD, Wright DS
Organometallics 2004, 23, 4821-4823 DOI: 10.1021/om0495372


Reductive-Elimination Of Phosphide Units; The Basis Of A General Approach To A Range Of Alloys And Materials
Garcia F, Hopkins AD, Pask CM, Woods AD, Wright DS
Journal of Materials Chemistry 2004, 14, 3093-3100 DOI: 10.1039/b406793b


Group 2 (Be-Ba) And Group 12 (Zn-Hg)
Wright DS
Organometallic Chemistry 2004, 31, 70-84


Self-Poisoning Of Crystal Nuclei In Hard-Rod Liquids
Schilling T, Frenkel D
2004, 155, 583-588


Quantitative Prediction Of Crystal-Nucleation Rates For Spherical Colloids: A Computational Approach.
Auer S, Frenkel D
Annual Review of Physical Chemistry 2004, 55, 333-361 DOI: 10.1146/annurev.physchem.55.091602.094402


Breakdown Of Classical Nucleation Theory Near Isostructural Phase Transitions
Cacciuto A, Auer S, Auer S, Frenkel D
Physical Review Letters 2004, 93, 166105-1-166105-4- DOI: 10.1103/PhysRevLett.93.166105


Thin-Film Metal Catalyst For The Production Of Multi-Wall And Single-Wall Carbon Nanotubes
Lacerda RG, Teo KBK, Teh AS, Yang MH, Dalal SH, Jefferson DA, Durrell JH, Rupesinghe NL, Roy D, Amaratunga GAJ, Milne WI, Wyczisk F, Legagneux P, Chhowalla M
Journal of Applied Physics 2004, 96, 4456-4462 DOI: 10.1063/1.1794359


Photocatalytic Properties Of Tio2 Modified With Gold Nanoparticles In The Degradation Of 4-Chlorophenol In Aqueous Solution
Orlov A, Jefferson DA, Macleod N, Lambert RM
Catalysis Letters 2004, 92, 41-47


Understanding The Crystal Structure Of Layered Lini0.5Mn0.5O2 By Electron Diffraction And Powder Diffraction Simulation
Meng YS, Ceder G, Grey CP, Yoon WS, Shao-Horn Y
Electrochemical and Solid-State Letters 2004, 7, A155-A158 DOI: 10.1149/1.1718211


Sorbate Rearrangement And Cation Migration In Hfc-134 Loaded Nay Zeolite: A Temperature Dependent Synchrotron Powder Diffraction Study
Gualtieri AF, Norby P, Grey CP, Hanson JC
Materials Science Forum 2004, 443-4, 295-298


Solid-State Nmr Study Of The Anionic Conductor Ca-Doped Y2Ti2O7
Kim N, Grey CP
Dalton Transactions: an international journal of inorganic chemistry 2004, , 3048-3052 DOI: 10.1039/b402068p


Magnetism And Structural Chemistry Of The N=2 Ruddlesden-Popper Phase La3Limno7
Battle PD, Burley JC, Gallon DJ, Grey CP, Sloan J
Journal of Solid State Chemistry 2004, 177, 119-125 DOI: 10.1016/S0022-4596(03)00333-5


Local Structure And Cation Ordering In O3 Lithium Nickel Manganese Oxides With Stoichiometry Li[Nixmn(2-X)/3Li(1-2X)/3]O-2 - Nmr Studies And First Principles Calculations
Yoon WS, Iannopollo S, Grey CP, Carlier D, Gorman J, Reed J, Ceder G
Electrochemical and Solid-State Letters 2004, 7, A167-A171 DOI: 10.1149/1.1737711


H-2 Mas Nmr And Specs Studies Of Gamma-Mno2 Reduction In Zinc Alkaline Primary Batteries
Paik Y, Bowden W, Richards T, Sirotina R, Grey CP
Journal of Electrochemical Society 2004, 151, A998-A1011 DOI: 10.1149/1.1757459


Electrochemical Activity Of Li In The Transition-Metal Sites Of O3Li[Li(1-2X)/3Mn(2-X)/3Nix]O-2
Grey CP, Yoon WS, Reed J, Ceder G
Electrochemical and Solid-State Letters 2004, 7, A290-A293 DOI: 10.1149/1.1783113


Combined Nmr And Xas Study On Local Environments And Electronic Structures Of Electrochemically Li-Ion Deintercalated Li1-Xco1/3Ni1/3Mn1/3O2 Electrode System
Yoon WS, Grey CP, Balasubramanian M, Yang XQ, Fischer DA, McBreen J
Electrochemical and Solid-State Letters 2004, 7, A53-A55 DOI: 10.1149/1.1643592


Organisation Of The Pantothenate (Vitamin B-5) Biosynthesis Pathway In Higher Plants
Ottenhof HH, Ashurst JL, Whitney HM, Saldanha SA, Schmitzberger F, Gweon HS, Blundell TL, Abell C, Smith AG
The Plant Journal 2004, 37, 61-72


Groups 1 And 11: The Alkali And Coinage Metals
Linton DJ, Wheatley AEH
Organometallic Chemistry 2004, 31, 48-69


On The Crystal Structures And Melting Point Alternation Of The N-Alkyl Carboxylic Acids
Bond AD, Bond AD
New Journal of Chemistry 2004, 28, 104-114 DOI: 10.1039/b307208h


[Bis(3-Diphenylphosphinopropyl)Phenylphosphine-Kappa P-3,P ',P '']Chloroplatinum(Ii) Perchlorate
Klint ST, Simonsen O, Andreasen LV, Bond AD, Wernberg O
Acta Crystallographica Section E: Structure Reports Online 2004, 60, M17-M19 DOI: 10.1107/S160053680302720X



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department of chemistry University of Cambridge