标题
Predicting crystal structures of organic compounds
作者
关键词
-
出版物
CHEMICAL SOCIETY REVIEWS
Volume 43, Issue 7, Pages 2098-2111
出版商
Royal Society of Chemistry (RSC)
发表日期
2013-11-22
DOI
10.1039/c3cs60279f
参考文献
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注意:仅列出部分参考文献,下载原文获取全部文献信息。- Conformational Polymorphism
- (2013) Aurora J. Cruz-Cabeza et al. CHEMICAL REVIEWS
- Determination of the Crystal Structure of a New Polymorph of Theophylline
- (2013) Mark D. Eddleston et al. CHEMISTRY-A EUROPEAN JOURNAL
- Optimization of Crystal Structures of Archetypical Pharmaceutical Compounds: A Plane-Wave DFT-D Study Using Quantum Espresso
- (2013) Albert M. Lund et al. CRYSTAL GROWTH & DESIGN
- Evaluating a Crystal Energy Landscape in the Context of Industrial Polymorph Screening
- (2013) Salima Z. Ismail et al. CRYSTAL GROWTH & DESIGN
- Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine
- (2013) Rajni M. Bhardwaj et al. CRYSTAL GROWTH & DESIGN
- Crystal Engineering: From Molecule to Crystal
- (2013) Gautam R. Desiraju JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Equilibrium structure and dynamics of organic crystals by Monte Carlo simulation: critical assessment of force fields and comparison with static packing analysis
- (2013) Angelo Gavezzotti NEW JOURNAL OF CHEMISTRY
- The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal
- (2013) Dejan-Krešimir Bučar et al. Chemical Science
- The polymorphs of ROY: application of a systematic crystal structure prediction technique
- (2012) Manolis Vasileiadis et al. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE
- Is the Fenamate Group a Polymorphophore? Contrasting the Crystal Energy Landscapes of Fenamic and Tolfenamic Acids
- (2012) Ogaga G. Uzoh et al. CRYSTAL GROWTH & DESIGN
- Complex Polymorphic System of Gallic Acid—Five Monohydrates, Three Anhydrates, and over 20 Solvates
- (2012) Doris E. Braun et al. CRYSTAL GROWTH & DESIGN
- Towards crystal structure prediction of complex organic compounds – a report on the fifth blind test
- (2011) David A. Bardwell et al. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE
- The Thermodynamically Stable Form of Solid Barbituric Acid: The Enol Tautomer
- (2011) Martin U. Schmidt et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Which, if any, hydrates will crystallise? Predicting hydrate formation of two dihydroxybenzoic acids
- (2011) Doris E. Braun et al. CHEMICAL COMMUNICATIONS
- A strategy for producing predicted polymorphs: catemeric carbamazepine form V
- (2011) Jean-Baptiste Arlin et al. CHEMICAL COMMUNICATIONS
- Progress in Crystal Structure Prediction
- (2011) John Kendrick et al. CHEMISTRY-A EUROPEAN JOURNAL
- Racemic Naproxen: A Multidisciplinary Structural and Thermodynamic Comparison with the Enantiopure Form
- (2011) Doris E. Braun et al. CRYSTAL GROWTH & DESIGN
- Polymorphism − A Perspective
- (2011) Joel Bernstein CRYSTAL GROWTH & DESIGN
- Form II Caffeine: A Case Study for Confirming and Predicting Disorder in Organic Crystals
- (2011) Matthew Habgood CRYSTAL GROWTH & DESIGN
- Computational prediction of salt and cocrystal structures—Does a proton position matter?
- (2011) Sharmarke Mohamed et al. INTERNATIONAL JOURNAL OF PHARMACEUTICS
- Efficient Handling of Molecular Flexibility in Lattice Energy Minimization of Organic Crystals
- (2011) A. V. Kazantsev et al. Journal of Chemical Theory and Computation
- Modular and predictable assembly of porous organic molecular crystals
- (2011) James T. A. Jones et al. NATURE
- Substitutional and orientational disorder in organic crystals: a symmetry-adapted ensemble model
- (2011) Matthew Habgood et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Current approaches to predicting molecular organic crystal structures
- (2011) Graeme M. Day Crystallography Reviews
- Polymorphism in Molecular Solids: An Extraordinary System of Red, Orange, and Yellow Crystals
- (2010) Lian Yu ACCOUNTS OF CHEMICAL RESEARCH
- Modelling organic crystal structures using distributed multipole and polarizability-based model intermolecular potentials
- (2010) Sarah L. Price et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Computed Crystal Energy Landscapes for Understanding and Predicting Organic Crystal Structures and Polymorphism
- (2008) Sarah (Sally) L. Price ACCOUNTS OF CHEMICAL RESEARCH
- Towards Prediction of Stoichiometry in Crystalline Multicomponent Complexes
- (2008) Aurora J. Cruz-Cabeza et al. CHEMISTRY-A EUROPEAN JOURNAL
- Polymorph control: past, present and future
- (2008) Antonio Llinàs et al. DRUG DISCOVERY TODAY
- Computational prediction of organic crystal structures and polymorphism
- (2008) S. L. Price INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY
- Mercury CSD 2.0– new features for the visualization and investigation of crystal structures
- (2008) Clare F. Macrae et al. JOURNAL OF APPLIED CRYSTALLOGRAPHY
- Modeling the interplay of inter- and intramolecular hydrogen bonding in conformational polymorphs
- (2008) Panagiotis G. Karamertzanis et al. JOURNAL OF CHEMICAL PHYSICS
- Molecular Polarization Effects on the Relative Energies of the Real and Putative Crystal Structures of Valine
- (2008) Timothy G. Cooper et al. Journal of Chemical Theory and Computation
- Improving Powder Flow Properties of Citric Acid by Crystal Hydration
- (2008) Changquan (Calvin) Sun JOURNAL OF PHARMACEUTICAL SCIENCES
- Tailor-Made Force Fields for Crystal-Structure Prediction
- (2008) Marcus A. Neumann JOURNAL OF PHYSICAL CHEMISTRY B
- The Thermal Stability of Lattice-Energy Minima of 5-Fluorouracil: Metadynamics as an Aid to Polymorph Prediction
- (2008) Panagiotis G. Karamertzanis et al. JOURNAL OF PHYSICAL CHEMISTRY B
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