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MOPAC / Semi-empirical quantum chemistry method / MNDO / Chemical element / Gaussian / Ab initio quantum chemistry methods / Crystal / SAM1 / AMPAC / Chemistry / PM3 / Austin Model 1


 M O P A C 2009 the next generation quantum chemistry tool for property prediction
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Document Date: 2010-10-21 16:13:14

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Company

Lu Hf / Ge / J. Comp / Fe Co / Pd Ag / 31G(d) PM3 HF / CAChe Research LLC / /

Currency

USD / /

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IndustryTerm

quantum chemistry tool / linear-scaling algorithm / lower energy tautomer / free energy / closed shell systems / gas phase / gas-phase calculations / /

OperatingSystem

Microsoft Windows / Macintosh / LINUX / /

Organization

Academic Government / /

Person

Pavel Hobza / Martin Korth / Jan Rezac / Michal Pitonak / Stewart Computational / /

Position

dynamic and static Jahn-Teller / symmetry analysis / /

Product

Cl / Sc / Tc / /

Technology

Computational Chemistry / Linux / linear-scaling algorithm / GUI / /

URL

http /

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