The internal coordinate path Hamiltonian; application to methanol and malonaldehyde-Reference-Cited by-同舟云学术

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The internal coordinate path Hamiltonian; application to methanol and malonaldehyde

Published:2003-12-10 Issue:23-24 Volume:101 Page:3513-3525
ISSN:0026-8976
Container-title:Molecular Physics
language:en
Short-container-title:Molecular Physics

Author:

TEW DAVID P.,HANDY NICHOLAS C.,CARTER STUART,IRLE STEPHAN,BOWMAN JOEL

Publisher

Informa UK Limited

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics

Link

http://www.tandfonline.com/doi/pdf/10.1080/0026897042000178079

Reference30 articles.

1. Simplification of the molecular vibration-rotation hamiltonian

2. Ab initio calculations of force fields for H2CN and C1HCN and vibrational energies of H2CN

3. Vibrational self-consistent field method for many-mode systems: A new approach and application to the vibrations of CO adsorbed on Cu(100)

4. Extensions and tests of "multimode": a code to obtain accurate vibration/rotation energies of many-mode molecules

5. The spin-forbidden reaction CH(2Π)+N2→HCN+N(4S) revisited. II. Nonadiabatic transition state theory and application

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3. Harnessing the power of curvilinear internal coordinates: from molecular structure prediction to vibrational spectroscopy;Theoretical Chemistry Accounts;2023-11-29

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