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Volumn 118, Issue 2, 2003, Pages 537-549

Counterpoise-corrected geometries and harmonic frequencies of N-body clusters: Application to (HF)n (n=3,4)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEXATION; DIMERS; FREQUENCIES; MOLECULAR VIBRATIONS; OPTIMIZATION; PERTURBATION TECHNIQUES; SURFACES;

EID: 0037425672     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1527011     Document Type: Article
Times cited : (47)

References (37)
  • 28
    • 0013015625 scopus 로고    scopus 로고
    • note
    • Since we are interested in the supermolecule's energy there is no need to introduce now the relaxation energy term. Once the counterpoise-corrected energy of the complex is obtained both the interaction and stabilization (including monomer relaxation) energies can be easily calculated.
  • 30
    • 0012918893 scopus 로고    scopus 로고
    • A copy of the program to perform counterpoise-corrected optimizations is available at http://iqc.udg.es/~perico
  • 32
    • 0004281848 scopus 로고
    • (Rochester, Michigan)
    • S. M. Cybulski, Trurl94 (Rochester, Michigan, 1994).
    • (1994) Trurl94
    • Cybulski, S.M.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.