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Volumn 20, Issue 8, 2014, Pages 2292-2300

Is electrostatics sufficient to describe hydrogen-bonding interactions?

Author keywords

alcohol dimers; computational chemistry; hydrogen bonds; noncovalent interactions; symmetry adapted perturbation theory (SAPT); water dimers

Indexed keywords

DISPERSION INTERACTION; HYDROGEN BONDING INTERACTIONS; HYDROGEN-BONDED COMPLEXES; INTERACTION CONTRIBUTIONS; INTERMOLECULAR SEPARATIONS; NON-COVALENT INTERACTION; SYMMETRY ADAPTED PERTURBATION THEORY; WATER DIMERS;

EID: 84893842672     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201303528     Document Type: Article
Times cited : (63)

References (39)
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    • 84893844050 scopus 로고    scopus 로고
    • R. Bukowski, W. Cencek, P. Jankowski, M. Jeziorska, B. Jeziorski, S. A. Kucharski, V. F. Lotrich, A. J. Misquitta, R. Moszyński, K. Patkowski, R. Podeszwa, S. Rybak, K. Szalewicz, H. L. Williams, R. J. Wheatley, P. E. S. Wormer, P. S. Żuchowski, SAPT2012: An Ab Initio Program for Many-Body Symmetry-Adapted Perturbation Theory Calculations of Intermolecular Interaction Energies, University of Delaware and University of Warsaw, 2012
    • R. Bukowski, W. Cencek, P. Jankowski, M. Jeziorska, B. Jeziorski, S. A. Kucharski, V. F. Lotrich, A. J. Misquitta, R. Moszyński, K. Patkowski, R. Podeszwa, S. Rybak, K. Szalewicz, H. L. Williams, R. J. Wheatley, P. E. S. Wormer, P. S. Żuchowski, SAPT2012: An Ab Initio Program for Many-Body Symmetry-Adapted Perturbation Theory Calculations of Intermolecular Interaction Energies, University of Delaware and University of Warsaw, 2012. http://www.physics.udel.edu/∼szalewic/SAPT/SAPT.html.
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    • 84893841240 scopus 로고    scopus 로고
    • DALTON, a molecular electronic structure program, Release 2.0 (2005), see
    • DALTON, a molecular electronic structure program, Release 2.0 (2005), see http://www.kjemi.uio.no/software/dalton/dalton.html.
  • 35
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    • TURBOMOLE V6.3 2011, a development of University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 1989 - 2007, TURBOMOLE GmbH, since 2007; available from
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.