191. M. Khrenova, I. Polyakov, B.L. Grigorenko, A.I. Krylov, and A.V. Nemukhin
Improving the design of the triple-decker motif in red fluorescent
proteins
J. Chem. Theor. Comput., submitted
(2015)
Abstract
190. K.D. Nanda and A.I. Krylov
Visualizing the contributions of virtual states to two-photon
absorption cross-sections by natural
transition orbitals of response transition density matrices
J. Phys. Chem. Lett. 8, 3256 – 3265
(2017)
Abstract
PDF Supporting info
189. E. Hossain, S.M. Deng, S. Gozem, A.I. Krylov, X.-B. Wang, and P.G. Wenthold
Photoelectron spectroscopy study of quinonimides
J. Am. Chem. Soc., in press
(2017)
Abstract
188. A. Sadybekov and A.I. Krylov
Coupled-cluster based approach for core-level states in condensed phase:
Theory and application to different protonated forms of aqueous glycine
J. Chem. Phys. 147, 014107
(2017)
Abstract
PDF Supporting info
187. K.D. Nanda and A.I. Krylov
Effect of the diradical character on static polarizabilities and two-photon absorption cross-sections:
A closer look with spin-flip equation-of-motion coupled-cluster singles and doubles method
J. Chem. Phys. 146, 224103
(2017)
Abstract
PDF Supporting info
186. S. Xu, J. Smith, S. Gozem, A.I. Krylov, and J.M. Weber
Electronic spectra of tris(2,2'-bipyridine)-M(II) complex ions in vacuo (M = Fe and Os)
Inorg. Chem. 56, 7029 – 7037
(2017)
Abstract
PDF
185. B.L. Grigorenko, A.I. Krylov, and A.V. Nemukhin
Molecular modeling clarifies the mechanism of chromophore maturation
in the green fluorescent protein
J. Am. Chem. Soc., in press
(2017)
Abstract
184. M. de Wergifosse, A.L. Houk, A.I. Krylov, and C.G. Elles
Two-photon absorption spectroscopy of trans-stilbene, cis-stilbene,
and phenanthrene: Theory and experiment
J. Chem. Phys. 146, 144305
(2017)
Abstract
PDF
183. M. de Wergifosse, C.G. Elles, and A.I. Krylov
Two-photon absorption spectroscopy of stilbene and phenanthrene: Excited-state analysis and comparison with ethylene and toluene
J. Chem. Phys. 146, 174102
(2017)
Abstract
PDF
182. K.Z. Ibrahim, E. Epifanovsky, S. Williams, and A.I. Krylov
Cross-scale efficient tensor contractions for coupled cluster computations through multiple
programming model backends
J. Parallel Distrib. Comput. 106, 92 – 105
(2017)
Abstract
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