4558 related articles for article (PubMed ID: 17963367)
1. 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]
2. Intermolecular potentials of the methane dimer calculated with Møller-Plesset perturbation theory and density functional theory.
Li AH; Chao SD
J Chem Phys; 2006 Sep; 125(9):094312. PubMed ID: 16965085
[TBL] [Abstract][Full Text] [Related]
3. Molecular dynamics simulations of fluid methane properties using ab initio intermolecular interaction potentials.
Chao SW; Li AH; Chao SD
J Comput Chem; 2009 Sep; 30(12):1839-49. PubMed ID: 19090563
[TBL] [Abstract][Full Text] [Related]
4. Computer simulation of trifluoromethane properties with ab initio force field.
Chung YH; Li AH; Chao SD
J Comput Chem; 2011 Aug; 32(11):2414-21. PubMed ID: 21598276
[TBL] [Abstract][Full Text] [Related]
5. Basis set superposition error in MP2 and density-functional theory: a case of methane-nitric oxide association.
Crespo-Otero R; Montero LA; Stohrer WD; García de la Vega JM
J Chem Phys; 2005 Oct; 123(13):134107. PubMed ID: 16223275
[TBL] [Abstract][Full Text] [Related]
6. 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]
7. 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]
8. 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; 118(35):7568-78. PubMed ID: 24761749
[TBL] [Abstract][Full Text] [Related]
9. Molecular dynamics simulation of liquid carbon tetrachloride using ab initio force field.
Li AH; Huang SC; Chao SD
J Chem Phys; 2010 Jan; 132(2):024506. PubMed ID: 20095686
[TBL] [Abstract][Full Text] [Related]
10. Ab initio and density functional theory reinvestigation of gas-phase sulfuric acid monohydrate and ammonium hydrogen sulfate.
Kurtén T; Sundberg MR; Vehkamäki H; Noppel M; Blomqvist J; Kulmala M
J Phys Chem A; 2006 Jun; 110(22):7178-88. PubMed ID: 16737269
[TBL] [Abstract][Full Text] [Related]
11. Ab initio study of hydrogen-bond formation between aliphatic and phenolic hydroxy groups and selected amino acid side chains.
Nagy PI; Erhardt PW
J Phys Chem A; 2008 May; 112(18):4342-54. PubMed ID: 18373368
[TBL] [Abstract][Full Text] [Related]
12. Ab initio calculations on halogen-bonded complexes and comparison with density functional methods.
Lu YX; Zou JW; Fan JC; Zhao WN; Jiang YJ; Yu QS
J Comput Chem; 2009 Apr; 30(5):725-32. PubMed ID: 18727160
[TBL] [Abstract][Full Text] [Related]
13. Accurate ab initio binding energies of alkaline earth metal clusters.
Lee JS
J Phys Chem A; 2005 Dec; 109(51):11927-32. PubMed ID: 16366644
[TBL] [Abstract][Full Text] [Related]
14. Efficient bond function basis set for pi-pi interaction energies.
Ding Y; Mei Y; Zhang JZ; Tao FM
J Comput Chem; 2008 Jan; 29(2):275-9. PubMed ID: 17568433
[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. 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]
17. Approximations to complete basis set-extrapolated, highly correlated non-covalent interaction energies.
Mackie ID; DiLabio GA
J Chem Phys; 2011 Oct; 135(13):134318. PubMed ID: 21992316
[TBL] [Abstract][Full Text] [Related]
18. Ab initio and analytic intermolecular potentials for Ar-CF4.
Vayner G; Alexeev Y; Wang J; Windus TL; Hase WL
J Phys Chem A; 2006 Mar; 110(9):3174-8. PubMed ID: 16509641
[TBL] [Abstract][Full Text] [Related]
19. Role of Hartree-Fock and Kohn-Sham orbitals in the basis set superposition error for systems linked by hydrogen bonds.
Garza J; Ramírez JZ; Vargas R
J Phys Chem A; 2005 Feb; 109(4):643-51. PubMed ID: 16833391
[TBL] [Abstract][Full Text] [Related]
20. Intermolecular potential energy surface for CS2 dimer.
Farrokhpour H; Mombeini Z; Namazian M; Coote ML
J Comput Chem; 2011 Apr; 32(5):797-809. PubMed ID: 20941736
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]