317. G. Giudetti, Shaama M. Sharada, and A.I. Krylov
AIMD-based protocols for modeling exciplex fluorescence spectra and inter-system crossing in photocatalytic chromophores
J. Comp. Chem.
, in press
(2024)
Abstract
316. N.K. Jayadev, T.-C. Jagau, and A.I. Krylov
Resonant Auger decay in benzene
J. Phys. Chem. A
, in press
(2024)
Abstract
Preprint
315. P. Wojcik, T. Khvorsot, G. Lao, C.G. Zhu, A. Macias, J.R. Caram, W.C. Campbell, M.A. Garcıa-Garibay, E.R. Hudson, A. Alexandrova, and A.I. Krylov
Photoswitching molecules functionalized with optical cycling centers provide a novel platform for studying chemical transformations in ultracold molecules
J. Phys. Chem. A
, in press
(2024)
Abstract
Preprint
314. P. Wojcik, H. Reisler, P. Szalay, A.I. Krylov, and J.F. Stanton
Vibronic coupling effects in the photoelectron spectrum of ozone: A coupled-cluster approach
J. Phys. Chem. A
127, 10957 – 10964
(2024)
Abstract
PDF Supporting info
313. G.Giudetti, A.R. Blinova, B.L. Grigorenko, and A.I. Krylov
A computational study of possible mechanisms of singlet oxygen generation in miniSOG photoactive protein
Mol. Phys.
, in press
(2024)
Abstract
PDF Supporting info
312. I.R. Efimov, J.S. Flier, R.P. George, A.I. Krylov, L.S. Maroja, J. Schaletzky, J. Tanzman, and A. Thompson
Politicizing science funding undermines public trust in science, academic freedom, and the unbiased generation of knowledge
Frontiers in Research Metrics and Analytics
9, 1418065
(2024)
Abstract
Full text
311. T. Khvorsot, P. Wójcik, C. Chang, M. Calvillo, C. Dickerson, G. Lao, E.R. Hudson, A.I. Krylov, and A. Alexandrova
Dual optical cycling centers mounted on an organic scaffold
J. Phys. Chem. Lett.
15, 5665−5673
(2024)
Abstract
PDF Supporting info
310. C.J. Clark, M. al-Gharbi, R.F. Baumeister, A. Bleske-Rechek, D. Buss, S. Ceci, J.P. Forgas, K. Frey, D.C. Geary, G. Geher, G. Geher, L. Jussim, A.I. Krylov, C.C. Martin, G. Miller, P. Paresky, C. Salmon, S. Stewart-Williams, A.E. Wilson, W. Williams, B.M. Winegard, and W. von Hippel
Reply to Darlow and Gray: Censorship is exclusion
PNAS
121, e2404156121
(2024)
Abstract
PDF
309. O. Haggag, R. Baer, S. Ruhman, and A.I. Krylov
Revisiting the benzene excimer using [2,2] paracyclophane model system: Experiment and theory
J. Chem. Phys.
160, 124111
(2024)
Abstract
PDF Supporting info
308. A. Patra, G. Pippim, A.I. Krylov, and S.M. Sharada
Performance of density functionals for excited-state properties of isolated chromophores and exciplexes: Emission spectra, solvatochromic shifts, and charge-transfer character
J. Chem. Theo. Comp.
20, 2520 – 2537
(2024)
Abstract
PDF
