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
Theory, Modelling and Informatics Publications (2015)


Nano-MoO3 mediated synthesis of bioactive thiazolidin-4-ones acting as anti-bacterial agents and their mode-of-action analysis using in silico target prediction, docking and similarity searching
Salundi Basappa, Keerthy Hosadurga Kumar, Shardul Paricharak, Chakrabhavi Dhananjaya Mohan, Bharath Kumar, G P Nagabhushana, K R Dinesh, Chandrappa Thimmanna Gujjarahalli, Andreas Bender, Kanchugarakoppal S Rangappa
New_Journal_of_Chemistry DOI: 10.1039/C5NJ02729B


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Rapid Oxidative Hydrogen Evolution from a Family of Square-Planar Nickel Hydride Complexes
Srinivasan Ramakrishnan, Sumit Chakraborty, William W Brennessel, C E D Chidsey, William Jones
Chemical_Science DOI: 10.1039/C5SC03189C


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Ion Dynamics in Li 2 CO 3 Studied by Solid-State NMR and First-Principles Calculations
Matthew T Dunstan, John M Griffin, Frédéric Blanc, Michal Leskes, and Clare P Grey
Journal_of_Physical_Chemistry_C DOI: 10.1021/acs.jpcc.5b06647


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The Morphology of TiO 2 (B) Nanoparticles
Xiao Hua, Zheng Liu, Peter G Bruce, and Clare P Grey
Journal_of_the_American_Chemical_Society DOI: 10.1021/jacs.5b08434


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New Insights into the Structure of Nanoporous Carbons from NMR, Raman, and Pair Distribution Function Analysis
Alexander C Forse, Céline Merlet, Phoebe K Allan, Elizabeth K Humphreys, John M Griffin, Mesut Aslan, Marco Zeiger, Volker Presser, Yury Gogotsi, and Clare P Grey
Chemistry_of_Materials DOI: 10.1021/acs.chemmater.5b03216


Designing disordered materials using DNA-coated colloids of bacteriophage fd and gold
Zachary Ruff, Simon Henry Nathan, Robert R Unwin, Mykolas Zupkauskas, Darshana Joshi, George P C Salmond, Clare P Grey, Erika Eiser
Faraday_Discussions DOI: 10.1039/C5FD00120J


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AuICl-bound N-heterocyclic carbene ligands form MII4(LAuCl)6 integrally gilded cages
Jonathan Nitschke, William Jamieson Ramsay, Jonathan A Foster, Katharine L Moore, Tanya Ronson, Raphael J Mirgalet, David A Jefferson
Chemical_Science DOI: 10.1039/C5SC03065J


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Effects of co-ordination number on the nucleation behaviour in many-component self-assembly
Aleks Reinhardt, Chon Pan Ho, Daan Frenkel
Faraday_Discussions DOI: 10.1039/C5FD00135H


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Rational Design of Molecularly Imprinted Polymers
Tine Curk, Jure Dobnikar, Daan Frenkel
Soft_Matter DOI: 10.1039/C5SM02144H


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How to make a porphyrin flip: Dynamics of asymmetric porphyrin oligomers
Cheng Shang, Julian Philpott, Nick Bampos, Paul Barker, David J Wales
PCCP DOI: 10.1039/C5CP04636J


Self-assembly protocol design for periodic multicomponent structures
William M Jacobs, Daan Frenkel
Soft_Matter DOI: 10.1039/C5SM01841B


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G Repeats Responsible for Myotonic Dystrophy 1
Ilyas Yildirim, Debayan Chakraborty, Matthew D Disney, David J Wales, and George C Schatz
Journal_of_Chemical_Theory_and_Computation DOI: 10.1021/acs.jctc.5b00728


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Crystalline adducts of the Lawsone molecule (2-hydroxy-1,4-naphthaquinone): optical properties and computational modelling
Anuradha Pallipurath, Jonathan M Skelton, Amit Delori, Connor Duffy, Andrea Erxleben, William Jones
CrystEngComm DOI: 10.1039/C5CE01644D


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Formation of Cucurbit[8]uril-Based Supramolecular Hydrogel Beads Using Droplet-Based Microfluidics
Xuejiao Xu, Eric A Appel, Xin Liu, Richard M Parker, Oren A Scherman, and Chris Abell
Biomacromolecules DOI: 10.1021/acs.biomac.5b01048


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Synthesis, characterization and in vitro evaluation of novel enantiomerically-pure sulphonamide antimalarials
Anusha Sebastian, Ameya Sinha, Pokunoth C Baburajeev, Trang TT Chu, Jessin Mathai, Kanchugarakoppal S Rangappa, Salundi Basappa, Rajesh C Das, julian e fuchs, Andreas Bender, Huang Ximei, Peter Rainer Preiser, Shivananju NanjundaSwamy
Organic_and_Biomolecular_Chemistry DOI: 10.1039/C5OB01479D


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Mapping Structural Changes in Electrode Materials: Application of the Hybrid Eigenvector-Following Density Functional Theory (DFT) Method to Layered Li 0.5 MnO 2
Ieuan D Seymour, Sudip Chakraborty, Derek S Middlemiss, David J Wales, and Clare P Grey
Chemistry_of_Materials DOI: 10.1021/acs.chemmater.5b01674


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Chromatin Unfolding by Epigenetic Modifications Explained by Dramatic Impairment of Internucleosome Interactions: A Multiscale Computational Study
Rosana Collepardo-Guevara, Guillem Portella, Michele Vendruscolo, Daan Frenkel, Tamar Schlick, and Modesto Orozco
Journal_of_the_American_Chemical_Society DOI: 10.1021/jacs.5b04086


Biophysical approaches for the study of interactions between molecular chaperones and protein aggregates
Maya A Wright, Francesco A Aprile, Paolo Arosio, Michele Vendruscolo, Christopher M Dobson, Tuomas Knowles
Chemical_Communications DOI: 10.1039/C5CC03689E


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A Rational Design Strategy for the Selective Activity Enhancement of a Molecular Chaperone toward a Target Substrate
Francesco A Aprile, Pietro Sormanni, and Michele Vendruscolo
Biochemistry DOI: 10.1021/acs.biochem.5b00459


Divergence from the classical hydroboration reactivity; boron containing materials through a hydroboration cascade of small cyclic dienes.
Anna Andreou, Michal Leskes, Pablo Jambrina, Gary Tustin, Clare P Grey, Edina Rosta, Prof Oren Scherman
Chemical_Science DOI: 10.1039/C4SC02729A


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Finite pulse effects in CPMG pulse trains on paramagnetic materials
Michal Leskes, Clare P Grey
PCCP DOI: 10.1039/C5CP02331A


, 2015-07-28, -


Catalytic polymeric nanocomposites via cucurbit[n]uril host-guest interactions
Yuchao Wu, Yang Lan, Ji Liu, Oren A Scherman
Nanoscale DOI: 10.1039/C5NR03647J


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, 2015-11-10, -


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Probing the Residual Structure of the Low Populated Denatured State of ADA2h under Folding Conditions by Relaxation Dispersion Nuclear Magnetic Resonance Spectroscopy
Yulia Pustovalova, Predrag Kukic, Michele Vendruscolo, and Dmitry M Korzhnev
Biochemistry DOI: 10.1021/acs.biochem.5b00345


Preparation and Supramolecular Recognition of Multivalent Peptide–Polysaccharide Conjugates by Cucurbit[8]uril in Hydrogel Formation
Matthew J Rowland, Marina Atgie, Dominique Hoogland, and Oren A Scherman
Biomacromolecules DOI: 10.1021/acs.biomac.5b00680


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Assembly of soft anisotropic particles into a Kagome lattice
Szilard N Fejer, David J Wales
Soft_Matter DOI: 10.1039/C5SM01191D


Supramolecular hydrogel microcapsules via cucurbit[8]uril host-guest interactions with triggered and UV-controlled molecular permeability
Ziyi Yu, Jing Zhang, Roger J Coulston, Richard M Parker, Frank Biedermann, Xin Liu, Oren A Scherman, Chris Abell
Chemical_Science DOI: 10.1039/C5CP01259G


Structures, Electronics, and Reactivity of Strained Phosphazane Cages: A Combined Experimental and Computational Study
Torsten Roth, Vladislav Vasilenko, Hubert Wadepohl, Dominic S Wright, and Lutz H Gade
Inorganic_Chemistry DOI: 10.1021/acs.inorgchem.5b01292


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Structural and Mechanistic Insights into Fast Lithium-Ion Conduction in Li 4 SiO 4 –Li 3 PO 4 Solid Electrolytes
Yue Deng, Christopher Eames, Jean-Noël Chotard, Fabien Lalère, Vincent Seznec, Steffen Emge, Oliver Pecher, Clare P Grey, Christian Masquelier, and M Saiful Islam
Journal_of_the_American_Chemical_Society DOI: 10.1021/jacs.5b04444


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Investigating Li Microstructure Formation on Li Anodes for Lithium Batteries by in Situ 6 Li/ 7 Li NMR and SEM
Hee Jung Chang, Nicole M Trease, Andrew J Ilott, Dongli Zeng, Lin-Shu Du, Alexej Jerschow, and Clare P Grey
Journal_of_Physical_Chemistry_C DOI: 10.1021/acs.jpcc.5b03396


Cucurbit[8]uril directed stimuli-responsive supramolecular polymer brushes for dynamic surface engineering
Chi Hu, Feng Tian, Yu Zheng, Cindy Soo Yun Tan, Kevin R West, Oren A Scherman
Chemical_Science DOI: 10.1039/C5SC01496D


Structures, Electronics, and Reactivity of Strained Phosphazane Cages: A Combined Experimental and Computational Study
Torsten Roth, Vladislav Vasilenko, Hubert Wadepohl, Dominic S Wright, and Lutz H Gade
Inorganic_Chemistry DOI: 10.1021/acs.inorgchem.5b01292


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Defect-Tolerant Diffusion Channels for Mg 2+ Ions in Ribbon-Type Borates: Structural Insights into Potential Battery Cathodes MgVBO 4 and Mg x Fe 2– x B 2 O 5
Shou-Hang Bo, Clare P Grey, and Peter G Khalifah
Chemistry_of_Materials DOI: 10.1021/acs.chemmater.5b01040


Screening of Quinoline, 1,3-Benzoxazine, and 1,3-Oxazine-based Small Molecules Against Isolated Methionyl-tRNA Synthetase and A549 and HCT116 Cancer Cells Including an In Silico Binding Mode Analysis
Bharath Kumar, Chakrabhavi Dhananjaya Mohan, Shobith Rangappa, Tae-Hee Kang, Keerthy Hosadurga Kumar, Julian Fuchs, Kwon Nam Hoon, Andreas Bender, Sunghoon Kim, Salundi Basappa, Kanchugarakoppal S Rangappa
Organic_and_Biomolecular_Chemistry DOI: 10.1039/C5OB00791G


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Multiple Redox Modes in the Reversible Lithiation of High-Capacity, Peierls-Distorted Vanadium Sulfide
Sylvia Britto, Michal Leskes, Xiao Hua, Claire-Alice Hébert, Hyeon Suk Shin, Simon Clarke, Olaf Borkiewicz, Karena W Chapman, Ram Seshadri, Jaephil Cho, and Clare P Grey
Journal_of_the_American_Chemical_Society DOI: 10.1021/jacs.5b03395


, 2015-09-16, -


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Dependence on Crystal Size of the Nanoscale Chemical Phase Distribution and Fracture in Li x FePO 4
Young-Sang Yu, Chunjoong Kim, David A Shapiro, Maryam Farmand, Danna Qian, Tolek Tyliszczak, A L David Kilcoyne, Rich Celestre, Stefano Marchesini, John Joseph, Peter Denes, Tony Warwick, Fiona C Strobridge, Clare P Grey, Howard Padmore, Ying Shirley Meng, Robert Kostecki, and Jordi Cabana
Nano_Letters DOI: 10.1021/acs.nanolett.5b01314


Structures, Electronics, and Reactivity of Strained Phosphazane Cages: A Combined Experimental and Computational Study
Torsten Roth, Vladislav Vasilenko, Hubert Wadepohl, Dominic S Wright, and Lutz H Gade
Inorganic_Chemistry DOI: 10.1021/acs.inorgchem.5b01292


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, 2015-09-01, -


Reply to “Comment on ‘A Tensor-Free Method for the Structural and Dynamic Refinement of Proteins using Residual Dipolar Couplings’”
Carlo Camilloni and Michele Vendruscolo
Journal_of_Physical_Chemistry_B DOI: 10.1021/acs.jpcb.5b04166


, 2015-06-15, -


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NMR Study of Ion Dynamics and Charge Storage in Ionic Liquid Supercapacitors
Alexander C Forse, John M Griffin, Céline Merlet, Paul M Bayley, Hao Wang, Patrice Simon, and Clare P Grey
Journal_of_the_American_Chemical_Society DOI: 10.1021/jacs.5b03958


Spontaneous Local Symmetry Breaking: A Conformational Study of Glycine on Cu{311}
David C Madden, Israel Temprano, Marco Sacchi, and Stephen J Jenkins
Journal_of_Physical_Chemistry_C DOI: 10.1021/acs.jpcc.5b02349


, 2015-07-24, -


2 H and 27 Al Solid-State NMR Study of the Local Environments in Al-Doped 2-Line Ferrihydrite, Goethite, and Lepidocrocite
Jongsik Kim, Andrew J Ilott, Derek S Middlemiss, Natasha A Chernova, Nathan Pinney, Dane Morgan, and Clare P Grey
Chemistry_of_Materials DOI: 10.1021/acs.chemmater.5b00856


Joint Experimental and Computational 17 O and 1 H Solid State NMR Study of Ba 2 In 2 O 4 (OH) 2 Structure and Dynamics
Rıza Dervişoğlu, Derek S Middlemiss, Frédéric Blanc, Yueh-Lin Lee, Dane Morgan, and Clare P Grey
Chemistry_of_Materials DOI: 10.1021/acs.chemmater.5b00328


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Structure and Dynamics of GeoCyp: A Thermophilic Cyclophilin with a Novel Substrate Binding Mechanism That Functions Efficiently at Low Temperatures
Michael J Holliday, Carlo Camilloni, Geoffrey S Armstrong, Nancy G Isern, Fengli Zhang, Michele Vendruscolo, and Elan Z Eisenmesser
Biochemistry DOI: 10.1021/acs.biochem.5b00263


, 2015-08-10, -


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Equilibrium Molecular Thermodynamics from Kirkwood Sampling
Sandeep Somani, Yuko Okamoto, Andrew J Ballard, and David J Wales
Journal_of_Physical_Chemistry_B DOI: 10.1021/acs.jpcb.5b01800


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Quasi-combinatorial energy landscapes for nanoalloy structure optimisation
Dmitri Schebarchov, David J Wales
PCCP DOI: 10.1039/C5CP01198A


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Cocrystal Formation through Mechanochemistry: from Neat and Liquid-Assisted Grinding to Polymer-Assisted Grinding
Dr Dritan Hasa, Gabriela Schneider Rauber, Prof Dario Voinovich and Prof William Jones
Angewandte_Chemie_International_Edition DOI: 10.1002/anie.201501638


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Highly Unusual Triangular Crystals of Theophylline: The Influence of Solvent on the Growth Rates of Polar Crystal Faces
Mark D Eddleston, Katarzyna E Hejczyk, Andrew M C Cassidy, Hugh P G Thompson, Graeme M Day, and William Jones
Crystal_Growth_and_Design DOI: 10.1021/acs.cgd.5b00295


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, 2015-08-03, -


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Mechanism of the Delithiation/Lithiation Process in LiFe 0.4 Mn 0.6 PO 4 : in Situ and ex Situ Investigations on Long-Range and Local Structures
Ilham Bezza, Maximilian Kaus, Ralf Heinzmann, Murat Yavuz, Michael Knapp, Stefan Mangold, Stephen Doyle, Clare P Grey, Helmut Ehrenberg, Sylvio Indris, and Ismael Saadoune
Journal_of_Physical_Chemistry_C DOI: 10.1021/jp513032r


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Structures and Energy Landscapes of Hydrated Sulfate Clusters
Lewis C Smeeton, James D Farrell, Mark T Oakley, David J Wales, and Roy L Johnston
Journal_of_Chemical_Theory_and_Computation DOI: 10.1021/acs.jctc.5b00151


, 2015-05-27, -


Analysis of the Contrasting Pathogenicities Induced by the D222G Mutation in 1918 and 2009 Pandemic Influenza A Viruses
Cheng Shang, Chris S Whittleston, Kyle H Sutherland-Cash, and David J Wales
Journal_of_Chemical_Theory_and_Computation DOI: 10.1021/ct5010565


, 2015-05-27, -


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- and Li-Storage Capacity
Timothy C King, Peter D Matthews, Hugh Glass, Jonathan A Cormack, Dr Juan Pedro Holgado, Dr Michal Leskes, Dr John M Griffin, Dr Oren A Scherman, Dr Paul D Barker, Prof Clare P Grey, Dr Siân E Dutton, Prof Richard M Lambert, Dr Gary Tustin, Prof Ali Alavi and Prof Dominic S Wright
Angewandte_Chemie_International_Edition DOI: 10.1002/anie.201412200


, 2015-07-02, -


Unfolding the contents of sub-nm plasmonic gaps using normalising plasmon resonance spectroscopy
Bart de Nijs, Richard W Bowman, Lars O Herrmann, Felix Benz, Steve J Barrow, Jan Mertens, Daniel O Sigle, Rohit Chikkaraddy, Anna Eiden, Andrea Ferrari, Oren A Scherman, Jeremy J Baumberg
Faraday_Discussions DOI: 10.1039/C4FD00195H


, 2015-09-29, -


Ordered and Disordered Polymorphs of Na(Ni 2/3 Sb 1/3 )O 2 : Honeycomb-Ordered Cathodes for Na-Ion Batteries
Jeffrey Ma, Shou-Hang Bo, Lijun Wu, Yimei Zhu, Clare P Grey, and Peter G Khalifah
Chemistry_of_Materials DOI: 10.1021/cm504339y


Highlights from Faraday discussion 170: Challenges and opportunities of modern mechanochemistry, Montreal, Canada, 2014
Tomislav Friscic, Stuart L James, Elena V Boldyreva, Carsten Bolm, William Jones, James Mack, Jonathan W Steed, Kenneth S Suslick
Chemical_Communications DOI: 10.1039/C5CC90113H


Mapping the Inhomogeneous Electrochemical Reaction Through Porous LiFePO 4 -Electrodes in a Standard Coin Cell Battery
Fiona C Strobridge, Bernardo Orvananos, Mark Croft, Hui-Chia Yu, Rosa Robert, Hao Liu, Zhong Zhong, Thomas Connolley, Michael Drakopoulos, Katsuyo Thornton, and Clare P Grey
Chemistry_of_Materials DOI: 10.1021/cm504317a


Characterization of the Dynamics in the Protonic Conductor CsH 2 PO 4 by 17 O Solid-State NMR Spectroscopy and First-Principles Calculations: Correlating Phosphate and Protonic Motion
Gunwoo Kim, John M Griffin, Frédéric Blanc, Sossina M Haile, and Clare P Grey
Journal_of_the_American_Chemical_Society DOI: 10.1021/jacs.5b00280


- and Li-Storage Capacity
Timothy C King, Peter D Matthews, Hugh Glass, Jonathan A Cormack, Dr Juan Pedro Holgado, Dr Michal Leskes, Dr John M Griffin, Dr Oren A Scherman, Dr Paul D Barker, Prof Clare P Grey, Dr Siân E Dutton, Prof Richard M Lambert, Dr Gary Tustin, Prof Ali Alavi and Prof Dominic S Wright
Angewandte_Chemie_International_Edition DOI: 10.1002/anie.201410570


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Simple fluorinated moiety insertion on A[small beta] 16-23 peptide for stain-free TEM imaging
Silvia Sonzini, Samuel T Jones, Zarah Walsh, Oren A Scherman
Analyst DOI: 10.1039/C4AN02278E


, 2015-05-12, -


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Mechanistic Insights into a BINOL-Derived Phosphoric Acid-Catalyzed Asymmetric Pictet–Spengler Reaction
Lois M Overvoorde, Matthew N Grayson, Yi Luo, and Jonathan M Goodman
Journal_of_Organic_Chemistry DOI: 10.1021/jo5028134


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Surface-immobilised micelles via cucurbit[8]uril-rotaxanes for solvent-induced burst release
Chi Hu, Yu Zheng, Ziyi Yu, Chris Abell, Oren A Scherman
Chemical_Communications DOI: 10.1039/C5CC00121H


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Analyzing Multitarget Activity Landscapes Using Protein–Ligand Interaction Fingerprints: Interaction Cliffs
Oscar Méndez-Lucio, Albert J Kooistra, Chris de Graaf, Andreas Bender, and José L Medina-Franco
Journal_of_Chemical_Information_and_Modeling DOI: 10.1021/ci500721x


, 2015-08-13, -


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Molecular Simulation Study of Hydrated Na-Rectorite
Jinhong Zhou, Edo S Boek, Jianxi Zhu, Xiancai Lu, Michiel Sprik, and Hongping He
Langmuir DOI: 10.1021/la503900h


, 2015-05-21, -


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Asymmetric Boronate Addition to o -Quinone Methides: Ligand Exchange, Solvent Effects, and Lewis Acid Catalysis
Matthew N Grayson and Jonathan M Goodman
Journal_of_Organic_Chemistry DOI: 10.1021/jo502616a


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Elucidation of the Local and Long-Range Structural Changes that Occur in Germanium Anodes in Lithium-Ion Batteries
Hyeyoung Jung, Phoebe K Allan, Yan-Yan Hu, Olaf J Borkiewicz, Xiao-Liang Wang, Wei-Qiang Han, Lin-Shu Du, Chris J Pickard, Peter J Chupas, Karena W Chapman, Andrew J Morris, and Clare P Grey
Chemistry_of_Materials DOI: 10.1021/cm504312x


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Analysis of the hierarchical structure of the B subtilis transcriptional regulatory network
Santhust Kumar, Michele Vendruscolo, Amit Singh, Dhiraj Kumar, Areejit Samal
Molecular_BioSystems DOI: 10.1039/C4MB00298A


The Most Reactive Amide As a Transition-State Mimic For cis – trans Interconversion
Igor V Komarov, Stanislav Yanik, Aleksandr Yu Ishchenko, John E Davies, Jonathan M Goodman, and Anthony J Kirby
Journal_of_the_American_Chemical_Society DOI: 10.1021/ja511460a


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, 2015-09-14, -


Base-Mediated Cascade Rearrangements of Aryl-Substituted Diallyl Ethers
Jolene P Reid, Catherine A McAdam, Adam J S Johnston, Matthew N Grayson, Jonathan M Goodman, and Matthew J Cook
Journal_of_Organic_Chemistry DOI: 10.1021/jo502403n


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