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Items: 1 to 20 of 111

1.
3.

Analytical potential energy surfaces for N(3) low-lying doublet states.

Wang Z, Kerkines IS, Morokuma K, Zhang P.

J Chem Phys. 2009 Jan 28;130(4):044313. doi: 10.1063/1.3068742.

PMID:
19191391
4.

Potential energy surface intersections in the C(1D)H2 reactive system.

Liu X, Bian W, Zhao X, Tao X.

J Chem Phys. 2006 Aug 21;125(7):074306.

PMID:
16942338
5.

Intersections of potential energy surfaces of short-lived states: the complex analogue of conical intersections.

Feuerbacher S, Sommerfeld T, Cederbaum LS.

J Chem Phys. 2004 Feb 15;120(7):3201-14.

PMID:
15268473
6.

Photodissociation of methane: exploring potential energy surfaces.

van Harrevelt R.

J Chem Phys. 2006 Sep 28;125(12):124302.

PMID:
17014169
7.

Theoretical study on the photodissociation of methylamine involving S1, T1, and S0 states.

Xiao H, Maeda S, Morokuma K.

J Phys Chem A. 2013 Jul 18;117(28):5757-64. doi: 10.1021/jp4042952. Epub 2013 Jul 5.

PMID:
23789818
8.

On the extent and connectivity of conical intersection seams and the effects of three-state intersections.

Coe JD, Ong MT, Levine BG, Martínez TJ.

J Phys Chem A. 2008 Dec 11;112(49):12559-67. doi: 10.1021/jp806072k.

PMID:
19012385
9.

Three-state conical intersections in nucleic acid bases.

Matsika S.

J Phys Chem A. 2005 Aug 25;109(33):7538-45.

PMID:
16834123
11.

Study of the C(3P) + OH(X2Pi) --> CO(a3Pi) + H(2S) reaction: fully global ab initio potential energy surfaces of the 12A'' and 14A'' excited states and non adiabatic couplings.

Zanchet A, Bussery-Honvault B, Jorfi M, Honvault P.

Phys Chem Chem Phys. 2009 Aug 7;11(29):6182-91. doi: 10.1039/b903829a. Epub 2009 May 26.

PMID:
19606328
12.
13.

Seams near seams: the Jahn-Teller effect in the 1E" state of N3+.

Dillon JJ, Yarkony DR.

J Chem Phys. 2007 Mar 28;126(12):124113.

PMID:
17411114
14.

The photodissociation mechanisms of acrylonitrile: Ab initio calculations on reaction channels and surface intersections.

Du WN, Luo C, Li ZS.

J Chem Phys. 2008 Nov 7;129(17):174309. doi: 10.1063/1.2994733.

PMID:
19045349
15.

CASPT2 study of photodissociation pathways of ketene.

Xiao H, Maeda S, Morokuma K.

J Phys Chem A. 2013 Aug 15;117(32):7001-8. doi: 10.1021/jp312719a. Epub 2013 Feb 20.

PMID:
23373716
17.

HN2(2A') electronic manifold. II. Ab initio based double-sheeted DMBE potential energy surface via a global diabatization angle.

Mota VC, Varandas AJ.

J Phys Chem A. 2008 Apr 24;112(16):3768-86. doi: 10.1021/jp710610d. Epub 2008 Apr 2.

PMID:
18380492
18.
19.

A multireference configuration interaction investigation of the excited-state energy surfaces of fluoroethylene (C2H3F).

Barbatti M, Aquino AJ, Lischka H.

J Phys Chem A. 2005 Jun 16;109(23):5168-75.

PMID:
16833872
20.

A CASSCF and CASPT2 study on the excited states of s-trans-formaldazine.

Luo C, Duan XM, Liu JY, Li ZS.

J Phys Chem A. 2008 Sep 25;112(38):8979-85. doi: 10.1021/jp805081h. Epub 2008 Aug 30.

PMID:
18759422

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