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90. A.A.Zadorozhnaya and A.I. Krylov
Zooming into pi-stacked manifolds of nucleobases:
Ionized states of dimethylated uracil dimers
J. Phys. Chem. A, submitted
(2009)
Abstract
89. O. Kostko, K.B. Bravaya, A.I. Krylov, and M. Ahmed
Ionization of cytosine monomer and dimer studied by VUV photoionization
and electronic structure calculations
Phys. Chem. Chem. Phys., submitted
(2009)
Abstract
88. A.A.Zadorozhnaya and A.I. Krylov
Ionization-induced structural changes in uracil dimers and their spectroscopic signatures
J. Chem. Theor. Comput., submitted
(2009)
Abstract
87. K.B. Bravaya, O. Kostko, M. Ahmed, and A.I. Krylov
The effect of pi-stacking, h-bonding, and electrostatic interactions on the ionization energies of nucleic acid bases:
adenine-adenine, thymine-thymine and adenine-thymine dimers
Phys. Chem. Chem. Phys., in press
(2009)
Abstract
86. A. Landau, K. Khistyaev, S. Dolgikh, and A. I. Krylov
Frozen natural orbitals for ionized states within equation-of-motion coupled-cluster formalism
J. Chem. Phys., submitted
(2009)
Abstract
85. C.M. Oana and A.I. Krylov
Cross sections and photoelectron angular distributions
in photodetachment from negative ions using
equation-of-motion coupled-cluster Dyson orbitals
J. Chem. Phys. 131, 124114
(2009)
Abstract
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84. P.U. Manohar, J.F. Stanton, and A.I. Krylov
Perturbative triples correction for the
equation-of-motion coupled-cluster wave functions
with single and double substitutions for ionized states:
Theory, implementation, and examples
J. Chem. Phys. 131, 114112
(2009)
Abstract
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83. L. Koziol, V.A. Mozhayskiy, B.J. Braams, J.M. Bowman, and A.I. Krylov
Ab initio calculation of photoelectron spectra of the hydroxycarbene diradicals
J. Phys. Chem. A 113, 7802 – 7809
(2009)
Abstract
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82. H. Reisler and A.I. Krylov
Interacting Rydberg and valence states in radicals and molecules:
Experimental and theoretical studies
Int. Rev. Phys. Chem. 28, 267 – 308
(2009)
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81. I. Polyakov, E. Epifanovsky, B. Grigorenko, A.I. Krylov, and A.V. Nemukhin
Quantum chemical benchmark studies of the electronic properties of
the green fluorescent protein chromophore: II. Cis-trans isomerization
in water
J. Chem. Theor. Comput. 5, 1907 – 1914
(2009)
Abstract
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