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Volumn 119, Issue 18, 2003, Pages 9393-9400

Relations among several nuclear and electronic density functional reactivity indexes

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONS; FUNCTIONS; PHASE EQUILIBRIA; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; REACTION KINETICS;

EID: 0345098403     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1615763     Document Type: Article
Times cited : (22)

References (30)
  • 30
    • 0345040787 scopus 로고    scopus 로고
    • note
    • 0(r→)v(r→)dr→ integrals can be evaluated analytically with the GAUSSIAN 98 program using the keywords "massage" and "guess=read" to freeze the density at that of the equilibrium geometry and adding punctual charges to move nuclei to the new positions.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.