205. P. Pokhilko, E. Epifanovskii, and A.I. Krylov
Double precision is not needed for many-body calculations:
New conventional wisdom
J. Chem. Theo. Comp., submitted
(2018)
Abstract
204. B. Hirshberg, R.B. Gerber, and A.I. Krylov
Autocorrelation of electronic wave-functions: A new approach for describing the evolution of electronic structure in the course of dynamics
Mol. Phys., in press
(2018)
Abstract
203. Yu. G. Ermakova, T. Sen, Yu. A. Bogdanova, A. Yu. Smirnov, N. S. Baleeva, A. I. Krylov, and M. S. Baranov
Pyridinium analogues of green fluorescent protein chromophore:
Fluorogenic dyes with large solvent-dependent Stokes shifts
J. Chem. Phys. Lett. 8, 1958 – 1963
(2018)
Abstract
PDF Supporting info
202. L.G. Dodson, J.D. Savee, S. Gozem, L. Shen, A.I. Krylov, C.A. Taatjes, D.L. Osborn, and M. Okumura
Vacuum ultraviolet photoionization cross section of the hydroxyl radical
J. Chem. Phys., submitted
(2018)
Abstract
201. A. Barrozo, M. Y. El-Naggar, and A.I. Krylov
Distinct electron conductance regimes in bacterial decaheme cytochromes
Angew. Chem. Int. Ed., in press
(2018)
Abstract
200. A. Bergantini, M.J. Abplanalp, P. Pokhilko, A.I. Krylov, C.N. Shingledecker, E. Herbst, and R.I. Kaiser
A combined experimental and theoretical study on the formation of interstellar propylene oxide
(CH3CHCH2O) - a chiral molecule
The Astrophysical Journal, submitted
(2018)
Abstract
199. W. Skomorowski, S. Gulania, and A.I. Krylov
Bound and continuum-embedded states of cyanopolyyne anions
Phys. Chem. Chem. Phys. 20, 4805 – 4817
(2018)
Abstract
PDF Supporting info
198. S. Mewes, F. Plasser, A.I. Krylov, and A. Dreuw
Benchmarking excited-state calculations using exciton properties
J. Chem. Theo. Comp. 14, 710 – 725
(2018)
Abstract
PDF
197. N. Orms and A.I. Krylov
Singlet-triplet energy gaps and the degree of
diradical character in binuclear copper molecular magnets
characterized by spin-flip density functional theory
Phys. Chem. Chem. Phys., in press
(2018)
Abstract
196. N. Orms and A.I. Krylov
Modeling photoelectron spectra of CuO, Cu2O, and CuO2 anions with equation-of-motion coupled-cluster methods: An adventure in Fock space
J. Phys. Chem. A, in press
(2018)
Abstract
