382 related articles for article (PubMed ID: 17388323)
1. Interaction of dihydrogen with small and light molecules.
Hübner O; Klopper W
J Phys Chem A; 2007 Mar; 111(12):2426-33. PubMed ID: 17388323
[TBL] [Abstract][Full Text] [Related]
2. 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]
3. Estimated MP2 and CCSD(T) interaction energies of n-alkane dimers at the basis set limit: comparison of the methods of Helgaker et al. and Feller.
Tsuzuki S; Honda K; Uchimaru T; Mikami M
J Chem Phys; 2006 Mar; 124(11):114304. PubMed ID: 16555885
[TBL] [Abstract][Full Text] [Related]
4. 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]
5. 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]
6. Scope and limitations of the SCS-MP2 method for stacking and hydrogen bonding interactions.
Bachorz RA; Bischoff FA; Höfener S; Klopper W; Ottiger P; Leist R; Frey JA; Leutwyler S
Phys Chem Chem Phys; 2008 May; 10(19):2758-66. PubMed ID: 18464991
[TBL] [Abstract][Full Text] [Related]
7. Binding energies of hydrogen molecules to isoreticular metal-organic framework materials.
Sagara T; Klassen J; Ortony J; Ganz E
J Chem Phys; 2005 Jul; 123(1):014701. PubMed ID: 16035857
[TBL] [Abstract][Full Text] [Related]
8. Isomers of the uracil dimer: an ab initio benchmark study.
Frey JA; Müller A; Losada M; Leutwyler S
J Phys Chem B; 2007 Apr; 111(13):3534-42. PubMed ID: 17388514
[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. Coupled-cluster and explicitly correlated perturbation-theory calculations of the uracil anion.
Bachorz RA; Klopper W; Gutowski M
J Chem Phys; 2007 Feb; 126(8):085101. PubMed ID: 17343472
[TBL] [Abstract][Full Text] [Related]
11. Analytic calculation of first-order molecular properties at the explicitly correlated second-order Moller-Plesset level: basis-set limits for the molecular quadrupole moments of BH and HF.
Kordel E; Villani C; Klopper W
J Chem Phys; 2005 Jun; 122(21):214306. PubMed ID: 15974737
[TBL] [Abstract][Full Text] [Related]
12. Accurate calculations of intermolecular interaction energies using explicitly correlated coupled cluster wave functions and a dispersion-weighted MP2 method.
Marchetti O; Werner HJ
J Phys Chem A; 2009 Oct; 113(43):11580-5. PubMed ID: 19807061
[TBL] [Abstract][Full Text] [Related]
13. Conformations of allyl amine: theory vs experiment.
Galabov B; Kim S; Xie Y; Schaefer HF; Leininger ML; Durig JR
J Phys Chem A; 2008 Mar; 112(10):2120-4. PubMed ID: 18247513
[TBL] [Abstract][Full Text] [Related]
14. Accurate calculations of intermolecular interaction energies using explicitly correlated wave functions.
Marchetti O; Werner HJ
Phys Chem Chem Phys; 2008 Jun; 10(23):3400-9. PubMed ID: 18535723
[TBL] [Abstract][Full Text] [Related]
15. Accurate calculation and modeling of the adiabatic connection in density functional theory.
Teale AM; Coriani S; Helgaker T
J Chem Phys; 2010 Apr; 132(16):164115. PubMed ID: 20441266
[TBL] [Abstract][Full Text] [Related]
16. Treating dispersion effects in extended systems by hybrid MP2:DFT calculations--protonation of isobutene in zeolite ferrierite.
Tuma C; Sauer J
Phys Chem Chem Phys; 2006 Sep; 8(34):3955-65. PubMed ID: 17028686
[TBL] [Abstract][Full Text] [Related]
17. 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]
18. An ab initio correlated study of the potential energy surface for the HOBr.H2O complex.
Santos CM; Faria R; Machado SP; De Almeida WB
J Chem Phys; 2004 Jul; 121(1):141-8. PubMed ID: 15260531
[TBL] [Abstract][Full Text] [Related]
19. An ab initio theoretical prediction: an antiaromatic ring pi-dihydrogen bond accompanied by two secondary interactions in a "wheel with a pair of pedals" shaped complex FH . . . C4H4 . . . HF.
Wu D; Li ZR; Hao XY; Jalbout AF; Adamowicz L; Li RJ; Sun CC
J Chem Phys; 2004 Jan; 120(3):1330-5. PubMed ID: 15268258
[TBL] [Abstract][Full Text] [Related]
20. Probing the effects of heterogeneity on delocalized pi...pi interaction energies.
Bates DM; Anderson JA; Oloyede P; Tschumper GS
Phys Chem Chem Phys; 2008 May; 10(19):2775-9. PubMed ID: 18464993
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]