201. A. Barrozo, M. Y. El-Naggar, and A.I. Krylov
Distinct Electron Conductance Regimes in Bacterial Decaheme Cytochromes
Angew. Chem. Int. Ed., submitted (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
Nature Astronomy, submitted (2018) Abstract 

199. W. Skomorowski, S. Gulania, and A.I. Krylov
Bound and continuum-embedded states of cyanopolyyne anions
Phys. Chem. Chem. Phys., in press (2018) Abstract 

198. S. Mewes, F. Plasser, A.I. Krylov, and A. Dreuw
Benchmarking excited-state calculations using exciton properties
J. Chem. Theo. Comp., in press (2018) Abstract 

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., submitted (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 

195. S. Faraji, S. Matsika, and A.I. Krylov
Calculations of non-adiabatic couplings within equation-of-motion coupled-cluster framework: Theory, implementation, and validation against multi-reference methods
J. Chem. Phys., in press (2018) Abstract 

194. N. Orms, D. Rehn, A. Dreuw, and A.I. Krylov
Characterizing bonding patterns in diradicals and triradicals by density-based wave function analysis: A uniform approach
J. Chem. Theo. Comp., in press (2018) Abstract 

193. A. Luxon, N. Orms, R. Kanters, A.I. Krylov, and C. Parish
An ab initio exploration of the Bergman cyclization
J. Phys. Chem. A 122, 420 – 430 (2018) Abstract  PDF 

192. J. Lyle, O. Wedig, S. Gulania, A.I. Krylov, and R. Mabbs
Channel branching ratios in CH2CN photodetachment: Rotational structure and vibrational energy redistribution in autodetachment
J. Chem. Phys. 147, 234309 (2017) Abstract  PDF Supporting info