219. A.V. Nemukhin, B.L. Grigorenko, M. Khrenova, and A.I. Krylov
Computational challenges in modeling fluorescent and photoactive proteins
J. Phys. Chem. B
, submitted
(2019)
Abstract
218. M. L. Vidal, X. Feng, E. Epifanovsky, A.I. Krylov, and S. Coriani
A new and efficient equation-of-motion coupled-cluster
framework for core-excited and core-ionized states
J. Chem. Theo. Comp.
, submitted
(2019)
Abstract
Preprint
217. S. Gulania, T.-C. Jagau, and A.I. Krylov
EOM-CC guide to Fock-space travel: The C2 edition
Faraday Disc.
, in press
(2019)
Abstract
Preprint
216. P. Pokhilko, R. Shannon, D. Glowacki, H. Wang, and A.I. Krylov
Spin-forbidden channels in reactions of unsaturated hydrocarbons
with O(3P)
J. Phys. Chem. A
123, 482 – 491
(2019)
Abstract
PDF Supporting infoPreprint
215. K.D. Nanda, A.I. Krylov, and J. Gauss
Communication: The pole structure of the dynamical polarizability tensor in equation-of-motion coupled-cluster theory
J. Chem. Phys.
149, 141101
(2018)
Abstract
PDF
214. A.I. Krylov, T. Windus, T. Barnes, E. Marin-Rimoldi, J. Nash, B. Pritchard, D. Smith, D. Altarawy, P. Saxe, C. Clementi, T. D. Crawford, R. Harrison, S. Jha, V. Pande, and T. Head-Gordon
Computational chemistry software and its advancement: Three Grand Challenge cases for computational molecular science
J. Chem. Phys.
149, 180901
(2018)
Abstract
PDF
213. P. Nijjar, A.I. Krylov, O.V. Prezhdo, A.F. Vilesov, and C. Wittig
The conversion of He(23S) to He2(a3
Sigmau+) in liquid helium
J. Phys. Chem. Lett.
9, 6017 – 6023
(2018)
Abstract
PDF Supporting info
212. K. Nanda and A.I. Krylov
The effect of polarizable environment on two-photon absorption cross sections characterized by the equation-of-motion coupled-cluster singles and doubles method combined with the effective fragment potential approach
J. Chem. Phys.
149, 164109
(2018)
Abstract
PDF Supporting info
211. S. Matsika and A.I. Krylov
Introduction: Theoretical modeling of excited-state processes
Chem. Rev.
118, 6925 – 6926
(2018)
Abstract
PDF
210. W. Skomorowski and A.I. Krylov
Real and imaginary excitons: Making sense of resonance wavefunctions by
using reduced state and transition density matrices
J. Phys. Chem. Lett.
9, 4101
(2018)
Abstract
PDF Supporting info
