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Volumn 121, Issue 11, 2004, Pages 5043-5050

Many-body interaction analysis: Algorithm development and application to large molecular clusters

Author keywords

[No Author keywords available]

Indexed keywords

ALDEHYDES; ALGORITHMS; BINDING ENERGY; HYDROGEN BONDS; MOLECULAR STRUCTURE; POTENTIAL ENERGY; RELAXATION PROCESSES; WATER;

EID: 4944236001     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1780156     Document Type: Article
Times cited : (62)

References (29)
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    • and references therein
    • K. Babu and S. R. Gadre, J. Comput. Chem. 24, 484 (2003), and references therein; K. Babu, V. Ganesh, and S. R. Gadre, Theor. Chem. Acc. 111, 255 (2004).
    • (2003) J. Comput. Chem. , vol.24 , pp. 484
    • Babu, K.1    Gadre, S.R.2
  • 18
    • 2442570694 scopus 로고    scopus 로고
    • K. Babu and S. R. Gadre, J. Comput. Chem. 24, 484 (2003), and references therein; K. Babu, V. Ganesh, and S. R. Gadre, Theor. Chem. Acc. 111, 255 (2004).
    • (2004) Theor. Chem. Acc. , vol.111 , pp. 255
    • Babu, K.1    Ganesh, V.2    Gadre, S.R.3
  • 19
    • 4944225057 scopus 로고    scopus 로고
    • (a) GNU: http://www.gnu.org;
  • 20
    • 4944257406 scopus 로고    scopus 로고
    • (b) Intel Corporation, USA; cf. http://www.intel.com for further details.
  • 23
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    • M. W. Schmidt, K. K. Baldridge, J. A. Boatz et al., J. Comput. Chem. 14, 1347 (1993); A. A. Granovsky, http://classic.chem.msu.su/gran/gamess/index.html
    • Granovsky, A.A.1
  • 26
    • 0035936231 scopus 로고    scopus 로고
    • a web-site related to the latest ab initio investigations of water clusters
    • S. Maheshwary, N. Patel, N. Sathyamurthy, A. D. Kulkarni, and S. R. Gadre, J. Phys. Chem. A 105, 10525 (2001), cf. http://www-wales.ch.cam.ac.uk/ ~wales/CCD/anant-watcl.html, a web-site related to the latest ab initio investigations of water clusters.
    • (2001) J. Phys. Chem. A , vol.105 , pp. 10525
    • Maheshwary, S.1    Patel, N.2    Sathyamurthy, N.3    Kulkarni, A.D.4    Gadre, S.R.5
  • 28
    • 4944236466 scopus 로고    scopus 로고
    • Oxford University Press, New York
    • S. Scheiner, Hydrogen Bond (Oxford University Press, New York 1997).
    • (1997) Hydrogen Bond
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.