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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)
58. A.A. Golubeva, A.V. Nemukhin, S.J. Klippenstein, L.B. Harding, and A.I. Krylov
Performance of the spin-flip and multi-reference methods for
bond-breaking in hydrocarbons: A benchmark study
J. Phys. Chem. A 111, 13264 – 13271
(2007)
Abstract
PDF (162 kB)
57. P. A. Pieniazek, S. A. Arnstein, S. E. Bradforth, A. I. Krylov, and C. D. Sherrill
Benchmark full configuration interaction and EOM-IP-CCSD
results for prototypical charge transfer systems: Noncovalent ionized dimers
J. Chem. Phys. 127, 164110
(2007)
Abstract
PDF (1542 kB)
56. T. Kowalczyk and A. I. Krylov
Electronic structure of carbon trioxide
and vibronic interactions involving Jahn-Teller states
J. Phys. Chem. A 111, 8271 – 8276
(2007)
Abstract
PDF (87 kB)
55. E. Epifanovsky and A. I. Krylov
Direct location of the minimum point on intersection seams
of potential energy surfaces with equation-of-motion coupled-cluster
methods
Mol. Phys. 105, 2515 – 2525
(2007)
Abstract
PDF (240 kB)
54. P. A. Pieniazek, A. I. Krylov, and S. E. Bradforth
Electronic structure of the benzene dimer cation
J. Chem. Phys. 127, 044317
(2007)
Abstract
PDF (981 kB)
53. I. Fedorov, L. Koziol, G. Li, J.A. Parr, A. I. Krylov, and H. Reisler
Theoretical and experimental investigations of the electronic Rydberg states
of diazomethane: Assignments and state interactions
J. Phys. Chem. A 111, 4557 – 4566
(2007)
Abstract
PDF (282 kB)
52. L. Koziol, M. Winkler, K.N. Houk, S. Venkataramani, W. Sander, and A. I. Krylov
The 1,2,3-tridehydrobenzene triradical: 2B or not 2B?
The answer is 2A!
J. Phys. Chem. A 111, 5071 – 5080
(2007)
Abstract
PDF (164 kB)
27. A. I. Krylov, L. V. Slipchenko, and S. V. Levchenko
Breaking the curse of the non-dynamical correlation problem: The spin-flip method
ACS Symposium Series 958, 89 – 102
(2007)
PDF (657 kB)
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