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Nucleic Acids Research, ISSN 0305-1048, 2007, Volume 35, Issue 1, pp. D358 - D362
Information on protein-protein interactions is still mostly limited to a small number of model organisms, and originates from a wide variety of experimental... 
UPDATE | ASSOCIATIONS | DATABASE | GENE | BIOCHEMISTRY & MOLECULAR BIOLOGY | GENOME | Sequence Homology, Amino Acid | User-Computer Interface | Internet | Databases, Protein - standards | Systems Integration | Protein Interaction Mapping | Index Medicus | Life Sciences | Bioinformatics | Biochemistry, Molecular Biology | Genomics | Computer Science
Journal Article
Coordination Chemistry Reviews, ISSN 0010-8545, 01/2016, Volume 307, pp. 211 - 236
Journal Article
Science, ISSN 0036-8075, 9/2010, Volume 329, Issue 5997, pp. 1358 - 1361
Journal Article
Journal Article
physica status solidi (a), ISSN 1862-6300, 06/2018, Volume 215, Issue 11, pp. 1700646 - n/a
In this paper, density functional theory (DFT) prediction is carried out and the ultraviolet photorefraction in newly‐designed LiNbO 3 /TiO 2 ‐X (X = Pd or N)... 
LiNbO | TiO | photorefraction | density functional theory | LITHIUM-NIOBATE CRYSTALS | PHYSICS, CONDENSED MATTER | PHYSICS, APPLIED | MATERIALS SCIENCE, MULTIDISCIPLINARY | ENHANCEMENT | LiNbO3 | TOTAL-ENERGY CALCULATIONS | EFFICIENCY | TiO2 | WAVE BASIS-SET | Palladium | Photorefractivity | Photorefraction | Energy levels | Titanium dioxide | Lithium niobates | Predictions
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 08/2012, Volume 137, Issue 8, pp. 084104 - 084104
We have developed an efficient method for cluster structure prediction based on the generalization of particle swarm optimization (PSO). A local version of PSO... 
LENNARD-JONES CLUSTERS | GENETIC ALGORITHMS | TRANSITION | AUGMENTED-WAVE METHOD | LITHIUM CLUSTERS | MINIMUM | GLOBAL OPTIMIZATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | SIMPLE METAL-CLUSTERS | GEOMETRY OPTIMIZATION | DENSITY-FUNCTIONAL THEORY | Potential energy | Similarity | Searching | Clusters | Evolution | Exploration | Bonding | Optimization
Journal Article
Journal Article
Physical Review Letters, ISSN 0031-9007, 11/2010, Volume 105, Issue 19, pp. 196403 - 196403
An efficient method for the prediction of fundamental band gaps in solids using density functional theory (DFT) is proposed. Generalizing the Delta... 
HOLE | ELECTRON-GAS | PHYSICS, MULTIDISCIPLINARY | SEMICONDUCTORS | CORRELATION-ENERGY | EXACT EXCHANGE | SYSTEMS | DENSITY-FUNCTIONAL THEORY | SPECTRA | GENERALIZED GRADIENT APPROXIMATION
Journal Article
Journal of the Electrochemical Society, ISSN 0013-4651, 2015, Volume 162, Issue 7, pp. C347 - C353
Quantum chemistry is a powerful tool for computing the properties of molecules and their interactions with one another in a variety of environments. In this... 
ELECTROCHEMISTRY | 1ST | CONSISTENT BASIS-SETS | DIOXIDE | DENSITY-FUNCTIONAL THEORY | ADSORPTION | SURFACE-TENSION | PRINCIPLES | MATERIALS SCIENCE, COATINGS & FILMS | WATER
Journal Article