Molpro: a general-purpose quantum chemistry program package-Reference-Cited by-同舟云学术

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Molpro: a general-purpose quantum chemistry program package

Published:2011-07-21 Issue:2 Volume:2 Page:242-253
ISSN:1759-0876
Container-title:Wiley Interdisciplinary Reviews: Computational Molecular Science
language:en
Short-container-title:WIREs Comput Mol Sci

Author:

Werner Hans-Joachim,Knowles Peter J.,Knizia Gerald,Manby Frederick R.,Schütz Martin

Publisher

Wiley

Subject

Materials Chemistry,Computational Mathematics,Physical and Theoretical Chemistry,Computer Science Applications,Biochemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/wcms.82/fullpdf

Reference103 articles.

1. Ab initio calculation of force constants and equilibrium geometries in polyatomic molecules. I. Theory;Pulay;Mol Phys,1969

2. Ab initio calculation of force constants and equilibrium geometries in polyatomic molecules. II. Force constants of water;Pulay;Mol Phys,1970

3. Ab initio calculation of force constants and equilibrium geometries. III. Second-row hydrides;Pulay;Mol Phys,1971

4. PNO-CI and CEPA studies of electron correlation effects. I. Configuration expansion by means of nonorthogonal orbitals, and application to the ground state and ionized states of methane;Meyer;J Chem Phys,1973

5. PNO-CI and CEPA studies of electron correlation effects. II. Potential curves and dipole-moment functions of the OH radical;Meyer;Theor Chim Acta,1974

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