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Force decomposition analysis along reaction coordinate

✍ Scribed by Joshi, Bhairav D.; Morokuma, Keiji

Book ID
120427511
Publisher
American Institute of Physics
Year
1977
Tongue
English
Weight
545 KB
Volume
67
Category
Article
ISSN
0021-9606

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Energy decomposition analysis along the
Energy decomposition analysis along the reaction coordinate. Theory and example: Fβˆ’ + HF β†’ [FHF]βˆ’
✍ Hideaki Umeyama; Kazuo Kitaura; Keiji Morokuma πŸ“‚ Article πŸ“… 1975 πŸ› Elsevier Science 🌐 English βš– 524 KB

Bzscd on Morokumn et A's energy decomposition scheme applied to molecular complexes. methods of endrgy deiomposition are proposed for interactions involving change:ej of intr~molecu~r coordinates, A method is proposed which decor poses the ener,qv into ;tn intrnmotecular term md intermolecular compo