Autor:	V. A. Shlyapochnikov, D. V. Levchenkov
Rok vydání:	2001
Předmět:	Quantum chemical Valence (chemistry) Nitromethane Inverse Condensed Matter Physics Quantum chemistry Force field (chemistry) chemistry.chemical_compound Classical mechanics chemistry Molecule Statistical physics Scaling Spectroscopy
Zdroj:	Journal of Applied Spectroscopy. 68:9-13
ISSN:	0021-9037
DOI:	10.1023/a:1019244632057
Popis:	Using a specific numerical example, we consider and discuss a problem of correction of quantum–chemical force fields because of the ambiguous selection of the systems of scaling factors. Additional conditions are suggested that make it possible to narrow noticeably the regions of solutions of the inverse vibrational problem.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::02368ba45578daa4bcd1a4f118653966 https://doi.org/10.1023/a:1019244632057 Zobrazit plný text záznamu Full text from SpringerLink