403 related articles for article (PubMed ID: 19739848)
1. Dispersion-corrected Møller-Plesset second-order perturbation theory.
Tkatchenko A; DiStasio RA; Head-Gordon M; Scheffler M
J Chem Phys; 2009 Sep; 131(9):094106. PubMed ID: 19739848
[TBL] [Abstract][Full Text] [Related]
2. Is spin-component scaled second-order Møller-Plesset perturbation theory an appropriate method for the study of noncovalent interactions in molecules?
Antony J; Grimme S
J Phys Chem A; 2007 Jun; 111(22):4862-8. PubMed ID: 17506533
[TBL] [Abstract][Full Text] [Related]
3. Improved supermolecular second order Møller-Plesset intermolecular interaction energies using time-dependent density functional response theory.
Hesselmann A
J Chem Phys; 2008 Apr; 128(14):144112. PubMed ID: 18412428
[TBL] [Abstract][Full Text] [Related]
4. On geometries of stacked and H-bonded nucleic acid base pairs determined at various DFT, MP2, and CCSD(T) levels up to the CCSD(T)/complete basis set limit level.
Dabkowska I; Jurecka P; Hobza P
J Chem Phys; 2005 May; 122(20):204322. PubMed ID: 15945739
[TBL] [Abstract][Full Text] [Related]
5. How accurate is the density functional theory combined with symmetry-adapted perturbation theory approach for CH-pi and pi-pi interactions? A comparison to supermolecular calculations for the acetylene-benzene dimer.
Tekin A; Jansen G
Phys Chem Chem Phys; 2007 Apr; 9(14):1680-7. PubMed ID: 17396179
[TBL] [Abstract][Full Text] [Related]
6. Ab initio study of the interactions between CO(2) and N-containing organic heterocycles.
Vogiatzis KD; Mavrandonakis A; Klopper W; Froudakis GE
Chemphyschem; 2009 Feb; 10(2):374-83. PubMed ID: 19137564
[TBL] [Abstract][Full Text] [Related]
7. Coulomb-only second-order perturbation theory in long-range-corrected hybrid density functionals.
Janesko BG; Scuseria GE
Phys Chem Chem Phys; 2009 Nov; 11(42):9677-86. PubMed ID: 19851545
[TBL] [Abstract][Full Text] [Related]
8. The water-benzene interaction: insight from electronic structure theories.
Ma J; Alfè D; Michaelides A; Wang E
J Chem Phys; 2009 Apr; 130(15):154303. PubMed ID: 19388742
[TBL] [Abstract][Full Text] [Related]
9. Intermolecular potentials of the silane dimer calculated with Hartree-Fock theory, Møller-Plesset perturbation theory, and density functional theory.
Pai CC; Li AH; Chao SD
J Phys Chem A; 2007 Nov; 111(46):11922-9. PubMed ID: 17963367
[TBL] [Abstract][Full Text] [Related]
10. Theoretical thermodynamics for large molecules: walking the thin line between accuracy and computational cost.
Schwabe T; Grimme S
Acc Chem Res; 2008 Apr; 41(4):569-79. PubMed ID: 18324790
[TBL] [Abstract][Full Text] [Related]
11. Hybrid correlation models based on active-space partitioning: correcting second-order Moller-Plesset perturbation theory for bond-breaking reactions.
Bochevarov AD; Sherrill CD
J Chem Phys; 2005 Jun; 122(23):234110. PubMed ID: 16008433
[TBL] [Abstract][Full Text] [Related]
12. Performance of spin-component-scaled Møller-Plesset theory (SCS-MP2) for potential energy curves of noncovalent interactions.
Takatani T; David Sherrill C
Phys Chem Chem Phys; 2007 Dec; 9(46):6106-14. PubMed ID: 18167585
[TBL] [Abstract][Full Text] [Related]
13. Van der Waals interactions between hydrocarbon molecules and zeolites: periodic calculations at different levels of theory, from density functional theory to the random phase approximation and Møller-Plesset perturbation theory.
Göltl F; Grüneis A; Bučko T; Hafner J
J Chem Phys; 2012 Sep; 137(11):114111. PubMed ID: 22998253
[TBL] [Abstract][Full Text] [Related]
14. Ammonia-water cation and ammonia dimer cation.
Kim H; Lee HM
J Phys Chem A; 2009 Jun; 113(25):6859-64. PubMed ID: 19534557
[TBL] [Abstract][Full Text] [Related]
15. Density functional theory based study of molecular interactions, recognition, engineering, and quantum transport in π molecular systems.
Cho Y; Cho WJ; Youn IS; Lee G; Singh NJ; Kim KS
Acc Chem Res; 2014 Nov; 47(11):3321-30. PubMed ID: 25338296
[TBL] [Abstract][Full Text] [Related]
16. On the role of higher-order correlation effects on the induction interactions between closed-shell molecules.
Korona T
Phys Chem Chem Phys; 2007 Dec; 9(45):6004-11. PubMed ID: 18004413
[TBL] [Abstract][Full Text] [Related]
17. Basis set and electron correlation effects on the polarizability and second hyperpolarizability of model open-shell pi-conjugated systems.
Champagne B; Botek E; Nakano M; Nitta T; Yamaguchi K
J Chem Phys; 2005 Mar; 122(11):114315. PubMed ID: 15839724
[TBL] [Abstract][Full Text] [Related]
18. Comparison of aromatic NH···π, OH···π, and CH···π interactions of alanine using MP2, CCSD, and DFT methods.
Mohan N; Vijayalakshmi KP; Koga N; Suresh CH
J Comput Chem; 2010 Dec; 31(16):2874-82. PubMed ID: 20928850
[TBL] [Abstract][Full Text] [Related]
19. Density-functional theory-symmetry-adapted intermolecular perturbation theory with density fitting: a new efficient method to study intermolecular interaction energies.
Hesselmann A; Jansen G; Schütz M
J Chem Phys; 2005 Jan; 122(1):14103. PubMed ID: 15638638
[TBL] [Abstract][Full Text] [Related]
20. Validation of dispersion-corrected density functional theory approaches for ionic liquid systems.
Zahn S; Kirchner B
J Phys Chem A; 2008 Sep; 112(36):8430-5. PubMed ID: 18707061
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
