Constrained evolutionary algorithm for structure prediction of molecular crystals: methodology and applications
出版年份 2012 全文链接
标题
Constrained evolutionary algorithm for structure prediction of molecular crystals: methodology and applications
作者
关键词
-
出版物
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE
Volume 68, Issue 3, Pages 215-226
出版商
International Union of Crystallography (IUCr)
发表日期
2012-05-17
DOI
10.1107/s0108768112017466
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。- How Evolutionary Crystal Structure Prediction Works—and Why
- (2011) Artem R. Oganov et al. ACCOUNTS OF CHEMICAL RESEARCH
- 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
- Benzene under High Pressure: a Story of Molecular Crystals Transforming to Saturated Networks, with a Possible Intermediate Metallic Phase
- (2011) Xiao-Dong Wen et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Current approaches to predicting molecular organic crystal structures
- (2011) Graeme M. Day Crystallography Reviews
- How to predict very large and complex crystal structures
- (2010) Andriy O. Lyakhov et al. COMPUTER PHYSICS COMMUNICATIONS
- Dissociation of methane under high pressure
- (2010) Guoying Gao et al. JOURNAL OF CHEMICAL PHYSICS
- The distorted close-packed crystal structure of methane A
- (2010) H. E. Maynard-Casely et al. JOURNAL OF CHEMICAL PHYSICS
- van der Waals Interactions in Molecular Assemblies from First-Principles Calculations
- (2010) Yan Li et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Comparing efficiencies of genetic and minima hopping algorithms for crystal structure prediction
- (2010) Min Ji 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
- Ab initiostudy of the formation of transparent carbon under pressure
- (2010) Xiang-Feng Zhou et al. PHYSICAL REVIEW B
- Body-Centered TetragonalC4: A Viablesp3Carbon Allotrope
- (2010) Koichiro Umemoto et al. PHYSICAL REVIEW LETTERS
- 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
- X-ray diffraction studies and equation of state of methane at 202GPa
- (2009) Liling Sun et al. CHEMICAL PHYSICS LETTERS
- How to quantify energy landscapes of solids
- (2009) Artem R. Oganov et al. JOURNAL OF CHEMICAL PHYSICS
- Crystal structure prediction of flexible molecules using parallel genetic algorithms with a standard force field
- (2009) Seonah Kim et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Ionic high-pressure form of elemental boron
- (2009) Artem R. Oganov et al. NATURE
- Crystal structure and stability of magnesium borohydride from first principles
- (2009) Xiang-Feng Zhou et al. PHYSICAL REVIEW B
- Novel high-pressure structures of MgCO3, CaCO3 and CO2 and their role in Earth's lower mantle
- (2008) Artem R. Oganov et al. EARTH AND PLANETARY SCIENCE LETTERS
- Clustering of Glycine Molecules in Aqueous Solution Studied by Molecular Dynamics Simulation
- (2008) Said Hamad et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Enumeration of Not-Yet-Synthesized Zeolitic Zinc Imidazolate MOF Networks: A Topological and DFT Approach
- (2008) I. A. Baburin et al. JOURNAL OF PHYSICAL CHEMISTRY B
- First-Principles Study of Experimental and Hypothetical Mg(BH4)2 Crystal Structures
- (2008) Bing Dai et al. Journal of Physical Chemistry C
- Evolutionary crystal structure prediction as a tool in materials design
- (2008) Artem R Oganov et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Highly compressed ammonia forms an ionic crystal
- (2008) Chris J. Pickard et al. NATURE MATERIALS
- First-Principles Prediction of a Ground State Crystal Structure of Magnesium Borohydride
- (2008) V. Ozolins et al. PHYSICAL REVIEW LETTERS
- High-pressure polymorphism in amino acids
- (2008) Stephen A. Moggach et al. Crystallography Reviews
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