Fit of the potential energy surface for the reaction Ne+H2+→NeH++H using three different functional forms

Autor:	Ralph Jaquet, John M. Heck, Edward F. Hayes, Phil Pendergast
Rok vydání:	1993
Předmět:	Neon Electron pair Chemistry Potential energy surface General Physics and Astronomy chemistry.chemical_element Physical and Theoretical Chemistry Atomic physics Stationary point Chemical reaction Energy pathways Ion
Zdroj:	The Journal of Chemical Physics. 98:4543-4547
ISSN:	1089-7690 0021-9606
DOI:	10.1063/1.465015
Popis:	Three different functional forms are fit to a calculated coupled electron pair approach potential energy surface for the reaction Ne+H2+→NeH++H. Minimum energy pathways and stationary points of the various fits are discussed.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::31ca013894cf6c1dda165c049f4c4b34 https://doi.org/10.1063/1.465015 Zobrazit plný text záznamu