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., submitted (2017) Abstract 

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., submitted (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., submitted (2017) Abstract 

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., submitted (2017) Abstract 

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., in press (2017) Abstract 

181. E.S.S. Iyer, A. Sadybekov, O. Lioubashevski, A.I. Krylov, and S. Ruhman
Rewriting the story of excimer formation in liquid benzene
J. Phys. Chem. A 121, 1962−1975 (2017) Abstract  PDF Supporting info

180. S. Manzer, E. Epifanovsky, and A.I. Krylov
A General Sparse Tensor Framework for Electronic Structure Theory
J. Chem. Theo. Comp. 13, 1108 – 1116 (2017) Abstract  PDF 

179. T.-C. Jagau, K.B. Bravaya, and A.I. Krylov
Extending quantum chemistry of bound states to electronic resonances
Ann. Rev. Phys. Chem., in press (2017) Abstract 

178. A.I. Krylov
The quantum chemistry of open-shell species
Reviews in Comp. Chem., in press (2017) Abstract 

177. I. Kaliman and A.I. Krylov
New algorithm for tensor contractions on multi-core CPUs, GPUs, and accelerators enables CCSD and EOM-CCSD calculations with over 1000 basis functions on a single compute node
J. Comp. Chem. 38, 842 – 853 (2017) Abstract  PDF 

176. A. Acharya, A.M. Bogdanov, K.B. Bravaya, B.L. Grigorenko, A.V. Nemukhin, K.A. Lukyanov, and A.I. Krylov
Photoinduced chemistry in fluorescent proteins: Curse or blessing?
Chem. Rev. 117, 758 – 795 (2017) Abstract  PDF