标题
Current approaches to predicting molecular organic crystal structures
作者
关键词
-
出版物
Crystallography Reviews
Volume 17, Issue 1, Pages 3-52
出版商
Informa UK Limited
发表日期
2011-01-12
DOI
10.1080/0889311x.2010.517526
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Predicting stoichiometry and structure of solvates
- (2010) Aurora J. Cruz-Cabeza et al. CHEMICAL COMMUNICATIONS
- Spontaneous Resolution of Enantiomers by Crystallization: Insights from Computed Crystal Energy Landscapes
- (2010) Emiliana D’Oria et al. CRYSTAL GROWTH & DESIGN
- Crystal packing predictions of the alpha-amino acids: methods assessment and structural observations
- (2010) Graeme M. Day et al. CRYSTENGCOMM
- Pseudoracemic amino acid complexes: blind predictions for flexible two-component crystals
- (2010) Carl Henrik Görbitz et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Modelling organic crystal structures using distributed multipole and polarizability-based model intermolecular potentials
- (2010) Sarah L. Price et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Significant progress in predicting the crystal structures of small organic molecules – a report on the fourth blind test
- (2009) Graeme M. Day et al. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE
- Can the Formation of Pharmaceutical Cocrystals Be Computationally Predicted? 2. Crystal Structure Prediction
- (2009) Panagiotis G. Karamertzanis et al. Journal of Chemical Theory and Computation
- A Major Advance in Crystal Structure Prediction
- (2008) Marcus A. Neumann et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- A first principles prediction of the crystal structure of C6Br2ClFH2
- (2008) Alston J. Misquitta et al. CHEMICAL PHYSICS LETTERS
- Towards Prediction of Stoichiometry in Crystalline Multicomponent Complexes
- (2008) Aurora J. Cruz-Cabeza et al. CHEMISTRY-A EUROPEAN JOURNAL
- Modeling the interplay of inter- and intramolecular hydrogen bonding in conformational polymorphs
- (2008) Panagiotis G. Karamertzanis et al. JOURNAL OF CHEMICAL PHYSICS
- Is the Induction Energy Important for Modeling Organic Crystals?
- (2008) Gareth W. A. Welch et al. Journal of Chemical Theory and Computation
- 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
- B3LYP augmented with an empirical dispersion term (B3LYP-D*) as applied to molecular crystals
- (2007) Bartolomeo Civalleri et al. CRYSTENGCOMM
Publish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn MoreBecome a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get Started