- computational chemistry
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The use of computation to predict the structure, properties and reactions of molecules
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computational chemistry
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Computational chemistry — is a branch of chemistry that uses principles of computer science to assist in solving chemical problems. It uses the results of theoretical chemistry, incorporated into efficient computer programs, to calculate the structures and properties of… … Wikipedia
computational chemistry — kompiuterinė chemija statusas T sritis chemija apibrėžtis Realių chemijos aspektų modeliavimas vietoje eksperimento kiek galima plačiau naudojant kompiuterių atliekamus teorinius skaičiavimus. atitikmenys: angl. computational chemistry rus.… … Chemijos terminų aiškinamasis žodynas
Computational Chemistry List — (CCL) est un site web ayant été lancé le 11 janvier 19991 sous la forme d un forum électronique indépendant à destination des chercheurs et enseignants en chimie du monde entier. Selon le forum du site, plus de 3000 membres en provenance de plus… … Wikipédia en Français
Computational Chemistry List — The Computational Chemistry List (CCL) was established on January 11, 1991, as an independent electronic forum for chemistry researchers and educators from around the world. According to the forum s web site, it is estimated that more than 3000… … Wikipedia
Computational Chemistry Grid — The Computational Chemistry Grid project (CCG) is a National Science Foundation project in computational chemistry. The CCG is a virtual organization that allocates time on high performance computing (HPC) resources for running computational… … Wikipedia
Journal of Computational Chemistry — Titre abrégé J. Comput. Chem. Discipline Chimie … Wikipédia en Français
Journal of Theoretical and Computational Chemistry — Titre abrégé J. Theor. Comput. Chem. Discipline … Wikipédia en Français
Center for Computational Chemistry — The Center for Computational Chemistry (CCC) is a research center in the department of Chemistry at the University of Georgia in Athens, Georgia, USA. Professor Henry Schaefer founded the center in 1987 as the Center for Computational Quantum… … Wikipedia
Journal of Computational Chemistry — The Journal of Computational Chemistry is a peer reviewed scientific journal, published since 1980 by John Wiley Sons. It publishes original research, contemporary developments in theory and methodology, and state of the art applications in all… … Wikipedia
PSI (computational chemistry) — PSI is an ab initio computational chemistry package originally written by the research group of Henry F. Schaefer, III (University of Georgia). It performs high accuracy quantum computations on small to medium sized molecules. PSI3 is the latest… … Wikipedia
