659 related articles for article (PubMed ID: 18163670)
21. van der Waals interactions and dipole polarizabilities of lanthanides: Tm(2F)-He and Yb(1S)-He potentials.
Buchachenko AA; Szcześniak MM; Chałasiński G
J Chem Phys; 2006 Mar; 124(11):114301. PubMed ID: 16555882
[TBL] [Abstract][Full Text] [Related]
22. Ab initio treatment of the chemical reaction precursor complex Cl(2P)-HF. 1. Three-dimensional diabatic potential energy surfaces.
Fishchuk AV; Wormer PE; van der Avoird A
J Phys Chem A; 2006 Apr; 110(16):5273-9. PubMed ID: 16623452
[TBL] [Abstract][Full Text] [Related]
23. Ab initio study of the Br(2P)-HBr van der Waals complex.
Toboła R; Chałasiński G; Kłos J; Szcześniak MM
J Chem Phys; 2009 May; 130(18):184304. PubMed ID: 19449918
[TBL] [Abstract][Full Text] [Related]
24. Ab initio studies of the interaction potential for the Xe-NO(X2Π) van der Waals complex: bound states and fully quantum and quasi-classical scattering.
Kłos J; Aoiz FJ; Menéndez M; Brouard M; Chadwick H; Eyles CJ
J Chem Phys; 2012 Jul; 137(1):014312. PubMed ID: 22779653
[TBL] [Abstract][Full Text] [Related]
25. Linear M[triple bond]E-Me versus bent M-E-Me: bonding analysis in heavier metal-ylidyne complexes [(Cp)(CO)2M[triple bond]EMe] and metallo-ylidenes [(Cp)(CO)3M-EMe] (M = Cr, Mo, W; E = Si, Ge, Sn, Pb).
Pandey KK; Lledós A
Inorg Chem; 2009 Apr; 48(7):2748-59. PubMed ID: 19256519
[TBL] [Abstract][Full Text] [Related]
26. Toward an accurate and efficient theory of physisorption. I. Development of an augmented density-functional theory model.
Murdachaew G; de Gironcoli S; Scoles G
J Phys Chem A; 2008 Oct; 112(40):9993-1005. PubMed ID: 18771248
[TBL] [Abstract][Full Text] [Related]
27. Broken-symmetry unrestricted hybrid density functional calculations on nickel dimer and nickel hydride.
Diaconu CV; Cho AE; Doll JD; Freeman DL
J Chem Phys; 2004 Nov; 121(20):10026-40. PubMed ID: 15549878
[TBL] [Abstract][Full Text] [Related]
28. Microwave and ab initio studies of rare gas-methane van der Waals complexes.
Liu Y; Jäger W
J Chem Phys; 2004 May; 120(19):9047-59. PubMed ID: 15267839
[TBL] [Abstract][Full Text] [Related]
29. Interactions in open-shell clusters: ab initio study of pre-reactive complex O(3P) + HCl.
Rode JE; Klos J; Rajchel L; Szczesniak MM; Chalasinski G; Buchachenko AA
J Phys Chem A; 2005 Dec; 109(50):11484-94. PubMed ID: 16354039
[TBL] [Abstract][Full Text] [Related]
30. Vertical spectrum of the C2H2+ system. An open shell (SC)2-CAS-SDCI study.
Pitarch-Ruiz J; Sánchez-Marín J; Maynau D
J Comput Chem; 2003 Apr; 24(5):609-17. PubMed ID: 12632475
[TBL] [Abstract][Full Text] [Related]
31. The Sc(2) dimer revisited.
Kalemos A; Kaplan IG; Mavridis A
J Chem Phys; 2010 Jan; 132(2):024309. PubMed ID: 20095676
[TBL] [Abstract][Full Text] [Related]
32. Low-lying electronic states of FeNC and FeCN: a theoretical journey into isomerization and quartet/sextet competition.
DeYonker NJ; Yamaguchi Y; Allen WD; Pak C; Schaefer HF; Peterson KA
J Chem Phys; 2004 Mar; 120(10):4726-41. PubMed ID: 15267333
[TBL] [Abstract][Full Text] [Related]
33. The van der Waals potential of the magnesium dimer.
Li P; Xie W; Tang KT
J Chem Phys; 2010 Aug; 133(8):084308. PubMed ID: 20815570
[TBL] [Abstract][Full Text] [Related]
34. The properties of weak and strong dihydrogen-bonded D-H...H-A complexes.
Cybulski H; Tymińska E; Sadlej J
Chemphyschem; 2006 Mar; 7(3):629-39. PubMed ID: 16477668
[TBL] [Abstract][Full Text] [Related]
35. Global ab initio potential energy surfaces for the O2(3Σg-)+O2(3Σg-) interaction.
Bartolomei M; Carmona-Novillo E; Hernández MI; Campos-Martínez J; Hernández-Lamoneda R
J Chem Phys; 2010 Sep; 133(12):124311. PubMed ID: 20886936
[TBL] [Abstract][Full Text] [Related]
36. Low-lying quartet electronic states of nitrogen dioxide.
Bera PP; Yamaguchi Y; Schaefer HF
J Chem Phys; 2007 Nov; 127(17):174303. PubMed ID: 17994814
[TBL] [Abstract][Full Text] [Related]
37. High-resolution electron spectroscopy and sigma/pi structures of M(pyridine) and M+(pyridine) (M = Li, Ca, and Sc) complexes.
Krasnokutski SA; Yang DS
J Chem Phys; 2009 Apr; 130(13):134313. PubMed ID: 19355738
[TBL] [Abstract][Full Text] [Related]
38. 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]
39. Electronic structure and spin coupling of the manganese dimer: The state of the art of ab initio approach.
Buchachenko AA; Chałasiński G; Szcześniak MM
J Chem Phys; 2010 Jan; 132(2):024312. PubMed ID: 20095679
[TBL] [Abstract][Full Text] [Related]
40. Potential-energy surface and van der Waals motions of p-difluorobenzene-argon cation.
Makarewicz J
J Chem Phys; 2005 Jul; 123(4):044307. PubMed ID: 16095358
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]
