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68. B. Karpichev, H. Reisler, A.I. Krylov, and K. Diri
Effect of hyperconjugation on ionization energies of hydroxyalkyl
radicals
J. Phys. Chem. A, submitted
(2008)
Abstract
67. P.A. Pieniazek, S.E. Bradforth, and A.I. Krylov
Charge localization and Jahn-Teller distortions in the
benzene dimer cation
J. Chem. Phys., submitted
(2008)
Abstract
66. E. Epifanovsky, K. Kowalski, P.-D. Fan, M. Valiev, S. Matsika, and A.I. Krylov
On the electronically excited states of uracil
J. Phys. Chem. A, in press
(2008)
Abstract
65. J.D. Savee, V.A. Mozhayskiy, J.E. Mann, A.I. Krylov, and R.E. Continetti
The role of excited state
topology in three-body dissociation of sym-triazine
Science, in press
(2008)
Abstract
64. P.A. Pieniazek, J. VandeVondele, P. Jungwirth, A.I. Krylov, and S.E. Bradforth
Electronic structure of the water dimer cation
J. Phys. Chem. A 112, 6159 – 6170
(2008)
Abstract
63. L. Koziol, Y. Wang, B.J. Braams, J.M. Bowman, and A. I. Krylov
The theoretical prediction of
infrared spectra of trans- and cis- hydroxycarbene
calculated using full dimensional ab initio potential energy and dipole
moment surfaces
J. Chem. Phys 128, 204310
(2008)
Abstract
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62. A. I. Krylov
Equation-of-motion coupled-cluster methods for open-shell
and electronically excited species: The hitchhiker's guide to Fock
space
Ann. Rev. Phys. Chem. 59, 433 – 462
(2008)
Abstract
Full text
61. V. Vanovschi, A. I. Krylov, and P. G. Wenthold
Structure, vibrational frequencies, ionization energies, and
photoelectron spectrum of the para-benzyne radical anion
Theor. Chem. Acc. 120, 45 – 58
(2008)
Abstract
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60. I. Fedorov, L. Koziol, G. Li, H. Reisler, and A. I. Krylov
Vibronic structure and ion core interactions in Rydberg states of diazomethane:
An experimental and theoretical investigation
J. Phys. Chem. A 111, 13347 – 13357
(2007)
Abstract
PDF (144 kB)
59. C.M. Oana and A.I. Krylov
Dyson orbitals for ionization from the ground and electronically
excited states within equation-of-motion coupled-cluster formalism:
Theory, implementation, and examples
J. Chem. Phys. 127, 234106
(2007)
Abstract
PDF (873 kB)
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