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Items: 1 to 20 of 106

1.

Optical-optical double resonance spectroscopy of the quasi-linear S2 state of CHF and CDF. II. Predissociation and mode-specific dynamics.

Richmond C, Tao C, Mukarakate C, Dawes R, Brown EC, Kable SH, Reid SA.

J Chem Phys. 2011 Sep 14;135(10):104316. doi: 10.1063/1.3633772.

PMID:
21932902
2.

Optical-optical double resonance spectroscopy of the quasi-linear S2 state of CHF and CDF. I. Spectroscopic analysis.

Tao C, Richmond C, Mukarakate C, Dawes R, Kable SH, Reid SA.

J Chem Phys. 2011 Sep 14;135(10):104315. doi: 10.1063/1.3633724.

PMID:
21932901
3.

Spectroscopy and dynamics of the predissociated, quasi-linear S2 state of chlorocarbene.

Tao C, Richmond CA, Mukarakate C, Kable SH, Bacskay GB, Brown EC, Dawes R, Lolur P, Reid SA.

J Chem Phys. 2012 Sep 14;137(10):104307. doi: 10.1063/1.4748972.

PMID:
22979859
4.

Observation of the predissociated, quasilinear B(1A') state of CHF by optical-optical double resonance.

Tao C, Reid SA, Schmidt TW, Kable SH.

J Chem Phys. 2007 Feb 7;126(5):051105.

PMID:
17302466
5.
6.

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
8.

Characterization of the HSiN_HNSi system in its electronic ground state.

Lind MC, Pickard FC, Ingels JB, Paul A, Yamaguchi Y, Schaefer HF 3rd.

J Chem Phys. 2009 Mar 14;130(10):104301. doi: 10.1063/1.3072711.

PMID:
19292528
9.

Femtochemistry of Norrish type-I reactions: III. Highly excited ketones--theoretical.

Diau EW, Kötting C, Sølling TI, Zewail AH.

Chemphyschem. 2002 Jan 18;3(1):57-78.

PMID:
12465477
10.

Ultrafast radiationless transition pathways through conical intersections in photo-excited 9H-adenine.

Hassan WM, Chung WC, Shimakura N, Koseki S, Kono H, Fujimura Y.

Phys Chem Chem Phys. 2010;12(20):5317-28. doi: 10.1039/b926102h.

PMID:
20358092
11.

Comparing electronic structure predictions for the ground state dissociation of vinoxy radicals.

Bennett DI, Butler LJ, Werner HJ.

J Chem Phys. 2007 Sep 7;127(9):094309.

PMID:
17824741
13.

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 8;123(18):184302.

PMID:
16292903
14.

A benchmark theoretical study of the electronic ground state and of the singlet-triplet split of benzene and linear acenes.

Hajgató B, Szieberth D, Geerlings P, De Proft F, Deleuze MS.

J Chem Phys. 2009 Dec 14;131(22):224321. doi: 10.1063/1.3270190.

PMID:
20001050
15.

Theory of the photodissociation of ozone in the Hartley continuum: potential energy surfaces, conical intersections, and photodissociation dynamics.

Baloïtcha E, Balint-Kurti GG.

J Chem Phys. 2005 Jul 1;123(1):014306. Erratum in: J Chem Phys. 2008 Feb 28;128(8):089901.

PMID:
16035834
16.

Extensive theoretical study on electronically excited states and predissociation mechanisms of sulfur monoxide including spin-orbit coupling.

Yu L, Bian W.

J Comput Chem. 2011 Jun;32(8):1577-88. doi: 10.1002/jcc.21737. Epub 2011 Feb 1.

PMID:
21284007
17.
18.

Channels to singlet and triplet phenylcarbenes in phenyldiazomethane: a CASSCF and MRCI study.

Cui G, Fang W.

Chemphyschem. 2011 Jun 20;12(9):1689-96. doi: 10.1002/cphc.201100025. Epub 2011 Apr 19.

PMID:
21506234
20.

The H(2)O(++) Ground State Potential Energy Surface.

Bunker PR, Bludsky O, Jensen P, Wesolowski SS, Van Huis TJ, Yamaguchi Y, Schaefer HF 3rd.

J Mol Spectrosc. 1999 Dec;198(2):371-375.

PMID:
10547318

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