236. D. Casanova and A.I. Krylov
Spin-flip methods in quantum chemistry
Phys. Chem. Chem. Phys. , submitted (2019) Abstract 

235. S. Gulania, T.-C. Jagau, A. Sanov, and A.I. Krylov
The quest to uncover the nature of benzonitrile anion
Phys. Chem. Chem. Phys. , submitted (2019) Abstract 

234. P. Pokhilko , D. Izmodenov, and A. I. Krylov
Extension of frozen natural orbital approximation to open-shell references: Theory, implementation, and application to single-molecule magnets
J. Chem. Phys. , submitted (2019) Abstract  Preprint

233. Z.-H. Loh, G. Doumy, C. Arnold, L. Kjellsson, S. H. Southworth, A. Al Haddad, Y. Kumagai, M.-F. Tu, P. J. Ho, A. M. March, R. D. Schaller, M. S. Bin Mohd Yusof, T. Debnath, M. Simon, R. Welsch, L. Inhester, K. Khalili, K. Nanda, A. I. Krylov, S. Moeller, G. Coslovich, J. Koralek, M. P. Minitti, W. F. Schlotter, J.-E. Rubensson, R. Santra, and L. Yong
Observation of the fastest chemical processes in the radiolysis of water
Science , in press (2019) Abstract 

232. T. Sen, A. V. Mamontova, A. V. Titelmayer, A. M. Shakhov, A. A. Astafiev, A. Acharya, K. A. Lukyanov, A. I. Krylov, and A. M. Bogdanov
Influence of the first chromophore-forming residue on photobleaching and oxidative photoconversion of EGFP and EYFP
Int. J. Mol. Sci.  20, 5229 (2019) Abstract  PDF Supporting info

231. B. L. Grigorenko, I. Polyakov, A. I. Krylov, and A. V. Nemukhin
Computational modeling reveals the mechanism of fluorescent state recovery in the reversibly photoswitchable protein Dreiklang
J. Phys. Chem. B , in press (2019) Abstract  Preprint

230. K. Nanda, M. L. Vidal, R. Faber, S. Coriani, and A. I. Krylov
How to stay out of trouble in RIXS calculations within equation-of-motion coupled-cluster damped response theory? Safe hitchhiking in the excitation manifold by means of core-valence separation
Phys. Chem. Chem. Phys. , in press (2019) Abstract 

229. M. L. Vidal, A. I. Krylov, and S. Coriani
Dyson orbitals within the fc-CVS-EOM-CCSD framework: Theory and application to X-ray photoelectron spectroscopy of ground and excited states
Phys. Chem. Chem. Phys. , in press (2019) Abstract 

228. M. V. Ivanov, F. H. Bangerter, and A. I. Krylov
Towards a rational design of laser-coolable molecules: Insights from equation-of-motion coupled-cluster calculations
Phys. Chem. Chem. Phys.  21, 19447 – 19457 (2019) Abstract  PDF Supporting info

227. S. Tsuru, M. L. Vidal, M. Papai, A. I. Krylov, K. Moller, and S. Coriani
Time-resolved near-edge X-ray absorption fine structure of pyrazine from electronic structure and nuclear wave packet dynamics simulations
J. Chem. Phys.  151, 124114 (2019) Abstract  PDF