1009 related articles for article (PubMed ID: 16356035)
1. Intermolecular potentials based on symmetry-adapted perturbation theory with dispersion energies from time-dependent density-functional calculations.
Misquitta AJ; Podeszwa R; Jeziorski B; Szalewicz K
J Chem Phys; 2005 Dec; 123(21):214103. PubMed ID: 16356035
[TBL] [Abstract][Full Text] [Related]
2. Three-body symmetry-adapted perturbation theory based on Kohn-Sham description of the monomers.
Podeszwa R; Szalewicz K
J Chem Phys; 2007 May; 126(19):194101. PubMed ID: 17523792
[TBL] [Abstract][Full Text] [Related]
3. Symmetry-adapted perturbation-theory calculations of intermolecular forces employing density-functional description of monomers.
Misquitta AJ; Szalewicz K
J Chem Phys; 2005 Jun; 122(21):214109. PubMed ID: 15974730
[TBL] [Abstract][Full Text] [Related]
4. Symmetry-adapted perturbation theory utilizing density functional description of monomers for high-spin open-shell complexes.
Zuchowski PS; Podeszwa R; Moszyński R; Jeziorski B; Szalewicz K
J Chem Phys; 2008 Aug; 129(8):084101. PubMed ID: 19044812
[TBL] [Abstract][Full Text] [Related]
5. 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]
6. Pair potential for helium from symmetry-adapted perturbation theory calculations and from supermolecular data.
Jeziorska M; Cencek W; Patkowski K; Jeziorski B; Szalewicz K
J Chem Phys; 2007 Sep; 127(12):124303. PubMed ID: 17902899
[TBL] [Abstract][Full Text] [Related]
7. Assessment of the performance of common density functional methods for describing the interaction energies of (H2O)6 clusters.
Wang FF; Jenness G; Al-Saidi WA; Jordan KD
J Chem Phys; 2010 Apr; 132(13):134303. PubMed ID: 20387929
[TBL] [Abstract][Full Text] [Related]
8. Highly accurate CCSD(T) and DFT-SAPT stabilization energies of H-bonded and stacked structures of the uracil dimer.
Pitonák M; Riley KE; Neogrády P; Hobza P
Chemphyschem; 2008 Aug; 9(11):1636-44. PubMed ID: 18574830
[TBL] [Abstract][Full Text] [Related]
9. Third-order interactions in symmetry-adapted perturbation theory.
Patkowski K; Szalewicz K; Jeziorski B
J Chem Phys; 2006 Oct; 125(15):154107. PubMed ID: 17059239
[TBL] [Abstract][Full Text] [Related]
10. Symmetry-adapted perturbation theory with Kohn-Sham orbitals using non-empirically tuned, long-range-corrected density functionals.
Lao KU; Herbert JM
J Chem Phys; 2014 Jan; 140(4):044108. PubMed ID: 25669506
[TBL] [Abstract][Full Text] [Related]
11. 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]
12. Determination of structure and properties of molecular crystals from first principles.
Szalewicz K
Acc Chem Res; 2014 Nov; 47(11):3266-74. PubMed ID: 25354310
[TBL] [Abstract][Full Text] [Related]
13. DFT-SAPT Intermolecular Interaction Energies Employing Exact-Exchange Kohn-Sham Response Methods.
Heßelmann A
J Chem Theory Comput; 2018 Apr; 14(4):1943-1959. PubMed ID: 29566325
[TBL] [Abstract][Full Text] [Related]
14. An improved treatment of empirical dispersion and a many-body energy decomposition scheme for the explicit polarization plus symmetry-adapted perturbation theory (XSAPT) method.
Lao KU; Herbert JM
J Chem Phys; 2013 Jul; 139(3):034107. PubMed ID: 23883010
[TBL] [Abstract][Full Text] [Related]
15. Interaction energies between glycopeptide antibiotics and substrates in complexes determined by X-ray crystallography: application of a theoretical databank of aspherical atoms and a symmetry-adapted perturbation theory-based set of interatomic potentials.
Li X; Volkov AV; Szalewicz K; Coppens P
Acta Crystallogr D Biol Crystallogr; 2006 Jun; 62(Pt 6):639-47. PubMed ID: 16699191
[TBL] [Abstract][Full Text] [Related]
16. On the accuracy of DFT-SAPT, MP2, SCS-MP2, MP2C, and DFT+Disp methods for the interaction energies of endohedral complexes of the C(60) fullerene with a rare gas atom.
Hesselmann A; Korona T
Phys Chem Chem Phys; 2011 Jan; 13(2):732-43. PubMed ID: 21046038
[TBL] [Abstract][Full Text] [Related]
17. Symmetry-adapted perturbation theory based on unrestricted Kohn-Sham orbitals for high-spin open-shell van der Waals complexes.
Hapka M; Żuchowski PS; Szczęśniak MM; Chałasiński G
J Chem Phys; 2012 Oct; 137(16):164104. PubMed ID: 23126692
[TBL] [Abstract][Full Text] [Related]
18. 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]
19. The nature of interactions between clusters of Mg and Zn with HCN from symmetry-adapted perturbation theory based of DFT.
Snyder DN; Szcześniak MM; Chałasiński G
J Chem Phys; 2009 Jun; 130(22):224704. PubMed ID: 19530781
[TBL] [Abstract][Full Text] [Related]
20. Interaction potential for water dimer from symmetry-adapted perturbation theory based on density functional description of monomers.
Bukowski R; Szalewicz K; Groenenboom G; van der Avoird A
J Chem Phys; 2006 Jul; 125(4):44301. PubMed ID: 16942136
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]