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70. P.U. Manohar and A.I. Krylov
A non-iterative perturbative triples correction for
the spin-flipping and spin-conserving equation-of-motion coupled-cluster
methods with single and double substitutions
J. Chem. Phys., submitted
(2008)
Abstract
69. V.A. Mozhayskiy, J.D. Savee, J.E. Mann, R.E. Continetti, and A.I. Krylov
Conical for stepwise, glancing for concerted:
The role of the excited state topology in
three-body dissociation of sym-triazine
J. Phys. Chem. A, submitted
(2008)
Abstract
68. B. Karpichev, H. Reisler, A.I. Krylov, and K. Diri
Effect of hyperconjugation on ionization energies of hydroxyalkyl
radicals
J. Phys. Chem. A, in press
(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. 129, 074104
(2008)
Abstract
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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 321, 826
(2008)
Abstract
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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
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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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