Krylov AI - Search Results

1

Theoretical and experimental investigations of the electronic Rydberg states of diazomethane: assignments and state interactions.

Fedorov I, Koziol L, Li G, Parr JA, Krylov AI, Reisler H. Fedorov I, et al. Among authors: krylov ai. J Phys Chem A. 2007 May 31;111(21):4557-66. doi: 10.1021/jp071590r. Epub 2007 May 5. J Phys Chem A. 2007. PMID: 17480063

2

Efficient strategies for accurate calculations of electronic excitation and ionization energies: theory and application to the dehydro-m-xylylene anion.

Slipchenko LV, Krylov AI. Slipchenko LV, et al. Among authors: krylov ai. J Phys Chem A. 2006 Jan 12;110(1):291-8. doi: 10.1021/jp0542827. J Phys Chem A. 2006. PMID: 16392867

3

Beyond vinyl: electronic structure of unsaturated propen-1-yl, propen-2-yl, 1-buten-2-yl, and trans-2-buten-2-yl hydrocarbon radicals.

Koziol L, Levchenko SV, Krylov AI. Koziol L, et al. Among authors: krylov ai. J Phys Chem A. 2006 Mar 2;110(8):2746-58. doi: 10.1021/jp055375r. J Phys Chem A. 2006. PMID: 16494386

4

Spectroscopy of the cyano radical in an aqueous environment.

Pieniazek PA, Bradforth SE, Krylov AI. Pieniazek PA, et al. Among authors: krylov ai. J Phys Chem A. 2006 Apr 13;110(14):4854-65. doi: 10.1021/jp0545952. J Phys Chem A. 2006. PMID: 16599455

5

Triradicals.

Krylov AI. Krylov AI. J Phys Chem A. 2005 Dec 1;109(47):10638-45. doi: 10.1021/jp0528212. J Phys Chem A. 2005. PMID: 16863112

6

Photodissociation dynamics of the NO dimer. I. Theoretical overview of the ultraviolet singlet excited states.

Levchenko SV, Reisler H, Krylov AI, Gessner O, Stolow A, Shi H, East AL. Levchenko SV, et al. Among authors: krylov ai. J Chem Phys. 2006 Aug 28;125(8):084301. doi: 10.1063/1.2222355. J Chem Phys. 2006. PMID: 16965006

7

The 1,2,3-tridehydrobenzene triradical: 2B or not 2B? The answer is 2A!

Koziol L, Winkler M, Houk KN, Venkataramani S, Sander W, Krylov AI. Koziol L, et al. Among authors: krylov ai. J Phys Chem A. 2007 Jun 14;111(23):5071-80. doi: 10.1021/jp0714522. Epub 2007 May 23. J Phys Chem A. 2007. PMID: 17518455

8

Electronic structure of carbon trioxide and vibronic interactions involving Jahn-Teller states.

Kowalczyk T, Krylov AI. Kowalczyk T, et al. Among authors: krylov ai. J Phys Chem A. 2007 Aug 23;111(33):8271-6. doi: 10.1021/jp073627d. Epub 2007 Jul 28. J Phys Chem A. 2007. PMID: 17661455

9

Performance of the spin-flip and multireference methods for bond breaking in hydrocarbons: a benchmark study.

Golubeva AA, Nemukhin AV, Klippenstein SJ, Harding LB, Krylov AI. Golubeva AA, et al. Among authors: krylov ai. J Phys Chem A. 2007 Dec 20;111(50):13264-71. doi: 10.1021/jp0764079. Epub 2007 Nov 16. J Phys Chem A. 2007. PMID: 18004832

10

Vibronic structure and ion core interactions in Rydberg states of diazomethane: an experimental and theoretical investigation.

Fedorov I, Koziol L, Li G, Reisler H, Krylov AI. Fedorov I, et al. Among authors: krylov ai. J Phys Chem A. 2007 Dec 27;111(51):13347-57. doi: 10.1021/jp0768064. Epub 2007 Dec 6. J Phys Chem A. 2007. PMID: 18052355

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