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Journal Abstract Search

131 related items for PubMed ID: 33887918

  • 21. A density-fitting implementation of the density-based basis-set correction method.
    Heßelmann A, Giner E, Reinhardt P, Knowles PJ, Werner HJ, Toulouse J.
    J Comput Chem; 2024 Jun 05; 45(15):1247-1253. PubMed ID: 38348951
    [Abstract] [Full Text] [Related]

  • 22. Theoretical study of salt effects on the Diels-Alder reaction of cyclopentadiene with methyl vinyl ketone using RISM-SCF theory.
    Yoshida N, Tanaka H, Hirata F.
    J Phys Chem B; 2013 Nov 14; 117(45):14115-21. PubMed ID: 24144235
    [Abstract] [Full Text] [Related]

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  • 24. Benchmark theoretical study of the π-π binding energy in the benzene dimer.
    Miliordos E, Aprà E, Xantheas SS.
    J Phys Chem A; 2014 Sep 04; 118(35):7568-78. PubMed ID: 24761749
    [Abstract] [Full Text] [Related]

  • 25. Analytical energy gradient for reference interaction site model self-consistent field explicitly including spatial electron density distribution.
    Yokogawa D, Sato H, Sakaki S.
    J Chem Phys; 2009 Dec 07; 131(21):214504. PubMed ID: 19968348
    [Abstract] [Full Text] [Related]

  • 26. A theoretical study of the mechanism of phosphine-catalyzed hydroalkoxylation of methyl vinyl ketone.
    Wang X, Li S, Jiang Y.
    J Phys Chem A; 2005 Dec 01; 109(47):10770-5. PubMed ID: 16863126
    [Abstract] [Full Text] [Related]

  • 27. Analytical Energy Gradients for the Cluster-in-Molecule MP2 Method and Its Application to Geometry Optimizations of Large Systems.
    Ni Z, Wang Y, Li W, Pulay P, Li S.
    J Chem Theory Comput; 2019 Jun 11; 15(6):3623-3634. PubMed ID: 31091102
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  • 29. Coupled-cluster and explicitly correlated perturbation-theory calculations of the uracil anion.
    Bachorz RA, Klopper W, Gutowski M.
    J Chem Phys; 2007 Feb 28; 126(8):085101. PubMed ID: 17343472
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  • 31. Well-balanced basis sets for second-order Møller-Plesset treatment of argon-aromatic molecule complexes.
    Makarewicz J.
    J Chem Phys; 2004 Nov 08; 121(18):8755-68. PubMed ID: 15527339
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  • 33. Intermolecular potential energy surface for CS2 dimer.
    Farrokhpour H, Mombeini Z, Namazian M, Coote ML.
    J Comput Chem; 2011 Apr 15; 32(5):797-809. PubMed ID: 20941736
    [Abstract] [Full Text] [Related]

  • 34. Calculating stacking interactions in nucleic acid base-pair steps using spin-component scaling and local second order Møller-Plesset perturbation theory.
    Hill JG, Platts JA.
    Phys Chem Chem Phys; 2008 May 21; 10(19):2785-91. PubMed ID: 18464995
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  • 36. Interaction Energy of Large Molecules from Restrained Denominator MP2-F12.
    Ohnishi YY, Ishimura K, Ten-No S.
    J Chem Theory Comput; 2014 Nov 11; 10(11):4857-61. PubMed ID: 26584372
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  • 38. Second-order Møller-Plesset perturbation theory applied to extended systems. II. Structural and energetic properties.
    Grüneis A, Marsman M, Kresse G.
    J Chem Phys; 2010 Aug 21; 133(7):074107. PubMed ID: 20726635
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  • 40. Explicitly correlated second-order Møller-Plesset perturbation theory employing pseudospectral numerical quadratures.
    Bokhan D, Trubnikov DN.
    J Chem Phys; 2012 May 28; 136(20):204110. PubMed ID: 22667543
    [Abstract] [Full Text] [Related]

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