397 related articles for article (PubMed ID: 20886936)
1. 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]
2. Accurate ab initio intermolecular potential energy surface for the quintet state of the O2(3Sigma(g)-)-O2(3Sigma(g)-) dimer.
Bartolomei M; Carmona-Novillo E; Hernández MI; Campos-Martínez J; Hernandez-Lamoneda R
J Chem Phys; 2008 Jun; 128(21):214304. PubMed ID: 18537419
[TBL] [Abstract][Full Text] [Related]
3. Quantum-mechanical study of the collision dynamics of O2(3Sigma(g)-) + O2(3Sigma(g)-) on a new ab initio potential energy surface.
Pérez-Ríos J; Bartolomei M; Campos-Martínez J; Hernández MI; Hernández-Lamoneda R
J Phys Chem A; 2009 Dec; 113(52):14952-60. PubMed ID: 20028175
[TBL] [Abstract][Full Text] [Related]
4. Global ab initio potential energy surface for the O2((3)Σ(g)(-)) + N2((1)Σ(g)(-)) interaction. Applications to the collisional, spectroscopic, and thermodynamic properties of the complex.
Bartolomei M; Carmona-Novillo E; Hernández MI; Campos-Martínez J; Moszyński R
J Phys Chem A; 2014 Aug; 118(33):6584-94. PubMed ID: 24824559
[TBL] [Abstract][Full Text] [Related]
5. Ab initio potential energy surfaces for NH((3)sigma(-))-NH((3)sigma(-)) with analytical long range.
Janssen LM; Groenenboom GC; van der Avoird A; Zuchowski PS; Podeszwa R
J Chem Phys; 2009 Dec; 131(22):224314. PubMed ID: 20001043
[TBL] [Abstract][Full Text] [Related]
6. The intermolecular potentials of the O2-O2 dimer: a detailed ab initio study of the energy splittings for the three lowest multiplet states.
Bartolomei M; Hernández MI; Campos-Martínez J; Carmona-Novillo E; Hernández-Lamoneda R
Phys Chem Chem Phys; 2008 Sep; 10(35):5374-80. PubMed ID: 18766233
[TBL] [Abstract][Full Text] [Related]
7. Spin-orbit coupling in O2(upsilon)+O2 collisions: I. Electronic structure calculations on dimer states involving the X 3Sigmag-, a 1Deltag, and b 1Sigmag+ states of O2.
Dayou F; Hernández MI; Campos-Martínez J; Hernández-Lamoneda R
J Chem Phys; 2005 Aug; 123(7):074311. PubMed ID: 16229574
[TBL] [Abstract][Full Text] [Related]
8. Ab initio calculation of the NH(3sigma-)-NH(3sigma-) interaction potentials in the quintet, triplet, and singlet states.
Dhont GS; van Lenthe JH; Groenenboom GC; van der Avoird A
J Chem Phys; 2005 Nov; 123(18):184302. PubMed ID: 16292903
[TBL] [Abstract][Full Text] [Related]
9. Intermolecular potential of the O2-O2 dimer. An ab initio study and comparison with experiment.
Hernández-Lamoneda R; Bartolomei M; Hernández MI; Campos-Martínez J; Dayou F
J Phys Chem A; 2005 Dec; 109(50):11587-95. PubMed ID: 16354051
[TBL] [Abstract][Full Text] [Related]
10. Ab initio potential energy surfaces for the O2-O2 system and derived thermophysical properties.
Hellmann R
J Chem Phys; 2023 Sep; 159(10):. PubMed ID: 37682206
[TBL] [Abstract][Full Text] [Related]
11. 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]
12. 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]
13. A theoretical study on the electronic states and O-loss photodissociation of the NO2(+) ion.
Chang HB; Huang MB
Chemphyschem; 2009 Feb; 10(3):582-9. PubMed ID: 19156650
[TBL] [Abstract][Full Text] [Related]
14. Spin-orbit coupling in O2(v)+O2 collisions. II. Quantum scattering calculations on dimer states involving the X 3 Sigma g -, a 1 Delta g, and b 1 Sigma g + states of O2.
Dayou F; Hernández MI; Campos-Martínez J; Hernández-Lamoneda R
J Chem Phys; 2007 May; 126(19):194309. PubMed ID: 17523806
[TBL] [Abstract][Full Text] [Related]
15. Relative energy of the high-(5T2g) and low-(1A1g) spin states of the ferrous complexes [Fe(L)(NHS4)]: CASPT2 versus density functional theory.
Pierloot K; Vancoillie S
J Chem Phys; 2008 Jan; 128(3):034104. PubMed ID: 18205485
[TBL] [Abstract][Full Text] [Related]
16. Ab initio intermolecular potential energy surfaces of the water-rare gas atom complexes.
Makarewicz J
J Chem Phys; 2008 Nov; 129(18):184310. PubMed ID: 19045406
[TBL] [Abstract][Full Text] [Related]
17. Ab initio wavenumber accurate spectroscopy: 1CH2 and HCN vibrational levels on automatically generated IMLS potential energy surfaces.
Dawes R; Wagner AF; Thompson DL
J Phys Chem A; 2009 Apr; 113(16):4709-21. PubMed ID: 19371124
[TBL] [Abstract][Full Text] [Related]
18. Inelastic scattering of the NCO(X2Pi) radical with the He atom on an ab initio potential energy surface.
Kłos J; Toboła R; Chałasiński G
J Phys Chem A; 2009 Dec; 113(52):14480-7. PubMed ID: 19681624
[TBL] [Abstract][Full Text] [Related]
19. Ab initio study of low-lying electronic states of SnCl2+.
Lee EP; Dyke JM; Chow WK; Mok DK; Chau FT
J Phys Chem A; 2007 Dec; 111(50):13193-9. PubMed ID: 18034464
[TBL] [Abstract][Full Text] [Related]
20. High-level ab initio potential energy surfaces and vibrational energies of H2CS.
Yachmenev A; Yurchenko SN; Ribeyre T; Thiel W
J Chem Phys; 2011 Aug; 135(7):074302. PubMed ID: 21861565
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
