Analysis of exponent values in Gaussian-type functions for development of protonic and deuteronic basis functions

International Journal of Quantum Chemistry

Volumn 106, Issue 7, 2006, Pages 1465-1476

  Ishimoto, Takayoshi ^a,c   Tachikawa, Masanori ^b   Nagashima, Umpei ^a  

^a NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

^b YOKOHAMA CITY UNIVERSITY   (Japan)

^c JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

Basis function of proton (deuteron); Hydrogen bonding; Isotope effect; Multi component MO method; Nuclear quantum effect

Indexed keywords

DEUTERIUM; DIMERS; ISOTOPES; MOLECULES; NUCLEAR ENERGY; QUANTUM THEORY;

BASIS FUNCTION OF PROTON (DEUTERON); ISOTOPE EFFECT; MULTI-COMPONENT MO METHOD; NUCLEAR QUANTUM EFFECT;

PROTONS;

EID: 33646382592     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.20932     Document Type: Article

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