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Volumn 31, Issue 13, 2010, Pages 2405-2418

Molecular tailoring approach in conjunction with MP2 and RI-MP2 codes: A comparison with fragment molecular orbital method

Author keywords

Divide and conquer (DC); Fragment molecular orbital (FMO); M ller Plesset second order perturbation theory (MP2); Molecular tailoring approach (MTA); Resolution of identity MP2 (RI MP2) method

Indexed keywords

DIVIDE AND CONQUER; FRAGMENT MOLECULAR ORBITAL; MOLECULAR TAILORING; RESOLUTION OF IDENTITY MP2 (RI-MP2) METHOD; SECOND ORDER PERTURBATION THEORY;

EID: 77957573184     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21533     Document Type: Article
Times cited : (71)

References (70)
  • 3
    • 77957583660 scopus 로고    scopus 로고
    • TURBOMOLE V6.0 2009, a development of University of Karlsruhe and Forschungszentrum Karlsruhe GmbH 1989-2007, TURBOMOLE GmbH, since 2007; Available at
    • TURBOMOLE V6.0 2009, a development of University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 1989-2007, TURBOMOLE GmbH, since 2007; Available at: http://www.turbomole.com.
  • 37
    • 60849087961 scopus 로고    scopus 로고
    • The package MeTA studio
    • The package is available at
    • Ganesh, V.; The package MeTA Studio. See J Comp Chem 2009, 30, 661. The package is available at:http://code.google.com/p/metastudio/
    • (2009) See J Comp Chem , vol.30 , pp. 661
    • Ganesh, V.1
  • 38
    • 65949121642 scopus 로고    scopus 로고
    • The package WebMTA, see The package is available for free academic use at
    • The package WebMTA, see Kavathekar, R.; Khire, S.; Ganesh, V.; Rahalkar A.P.; Gadre, S.R., J Comp Chem 2009, 30, 1167. The package is available for free academic use at http://chem.unipune. ernet.in/-tcg/mtaweb
    • (2009) J Comp Chem , vol.30 , pp. 1167
    • Kavathekar, R.1    Khire, S.2    Ganesh, V.3    Rahalkar, A.P.4    Gadre, S.R.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.