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Theoretical chemistry
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251	DEPARTMENT OF HEALTH AND HUMAN SERVICES PUBLIC HEALTH SERVICE NATIONAL INSTITUTES OF HEALTH NATIONAL CENTER FOR RESEARCH RESOURCES BIOMEDICAL TECHNOLOGY AREA ANNUAL PROGRESS REPORT – ) Add to Reading List Source URL: www.ks.uiuc.edu Language: English Computational chemistry Molecular modelling Protein structure Computational biology Mathematical and theoretical biology Villin NAMD Molecular dynamics Protein folding Science Chemistry Biology
252	DEPARTMENT OF HEALTH AND HUMAN SERVICES PUBLIC HEALTH SERVICE NATIONAL INSTITUTES OF HEALTH NATIONAL CENTER FOR RESEARCH RESOURCES BIOMEDICAL TECHNOLOGY AREA ANNUAL PROGRESS REPORT97) Add to Reading List Source URL: www.ks.uiuc.edu Language: English - Date: 2005-02-25 15:54:54 Molecular modelling Theoretical chemistry Bioinformatics Drug discovery Medicinal chemistry NAMD Molecular dynamics Avidin Charm++ Chemistry Science Computational chemistry
253	PUBLICATIONSB. Birknes and K. Fægri, jr. "Empirical Correlation of CNDO/2 and Extended Huckel Ionization Energies for the Azines." Acta. Chem. Scand. A29, , 1975. Add to Reading List Source URL: www.uio.no Language: English Hartree–Fock method Knut Fægri Ab initio quantum chemistry methods Dirac Møller–Plesset perturbation theory Chemistry Theoretical chemistry Computational chemistry
254	University of Illinois at Urbana-Champaign Luthey-Schulten Group Beckman Institute for Advanced Science and Technology Theoretical and Computational Biophysics Group San Francisco Workshop Add to Reading List Source URL: www.ks.uiuc.edu Language: English Chemistry Aminoacyl tRNA synthetase Transfer RNA Aminoacyl tRNA synthetases class I Aminoacyl-tRNA Genetic code Translation N-Formylmethionine Amino acid Biology Protein biosynthesis Biochemistry
255	Microsoft Word - F-BRIDGE - D221 - revision 0 - Assessment of atomistic modeling methods - v8 validated.doc Add to Reading List Source URL: www.f-bridge.eu Language: English - Date: 2013-04-23 06:24:59 Quantum chemistry Computational chemistry Density functional theory Atomic physics Hybrid functional Ab initio quantum chemistry methods Molecular dynamics Local-density approximation Jellium Chemistry Physics Theoretical chemistry
256	PHYSICAL REVIEW E MARCH 1993 VOLUME 47, NUMBER 3 Add to Reading List Source URL: www.neutron.kth.se Language: English Radial distribution function Physics Structure factor Science Theoretical chemistry Polymer field theory Chemistry Mechanics Physical chemistry
257	Journal of Cheminformatics 2012, Volume 4 Suppl 1 http://www.jcheminf.com/supplements/4/S1 MEETING ABSTRACTS Open Access Add to Reading List Source URL: www.jcheminf.com Language: English Drug discovery Pharmaceutical sciences Medicinal chemistry Computational chemistry OpenEye Scientific Software Chemical Computing Group Theoretical chemistry Virtual screening Pharmacophore Science Chemistry Cheminformatics
258	Dalke and Hastings Journal of Cheminformatics 2013, 5(Suppl 1):O6 http://www.jcheminf.com/content/5/S1/O6 ORAL PRESENTATION Open Access Add to Reading List Source URL: www.jcheminf.com Language: English NP-complete problems Cheminformatics Computational chemistry Graph theory Maximum common subgraph isomorphism problem Subgraph isomorphism problem Chemistry Matching Graph isomorphism Mathematics Theoretical computer science Applied mathematics
259	The relationship between difference and ratio and a proposal: Equivalence of temperature and time, and the first spontaneous symmetry breaking Add to Reading List Source URL: www.jsystchem.com Language: English Graph rewriting Morphisms Subgraph isomorphism problem Graph homomorphism Matching Molecular graph Graph Chemical reaction Chemistry Graph theory Mathematics Theoretical computer science
260	PHYSICAL REVIEW B 87, First-principles time-dependent quantum transport theory Yu Zhang, Shuguang Chen, and GuanHua Chen* Department of Chemistry, The University of Hong Kong, Hong Kong, China (Received 21 Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2013-04-11 11:00:48 Density functional theory Quantum chemistry Theoretical chemistry Time-dependent density functional theory Chemistry Physics Computational chemistry

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