338. G. Giudetti, Y. Li, M. Jung Kim, C. Zhang, and A.I. Krylov
Optical properties of new donor–acceptor dyes for RNA
imaging: Insights from ab initio and Hueckel’s model calculations
J. Phys. Chem. B
, submitted
(2026)
Abstract
Preprint
337. R. Moorby, M. Mukherjee, C. Utku, T.-C. Jagau, and A.I. Krylov
A fresh look at signatures of s-wave scattering: Symmetry and the breakdown of the Born–Oppenheimer approximation
J. Phys. Chem. A
, submitted
(2026)
Abstract
Preprint
336. M. Manisha, A.I. Krylov, and P.U. Manohar
Equation-of-motion coupled-cluster methods for doubly ionized and doubly electron-attached states with single, double, and triple substitutions: Theory, implementation, and benchmarks
J. Chem. Phys.
, submitted
(2026)
Abstract
335. A.I. Krylov
Introduction to the Alexander Vladimirovich Nemukhin special issue
Mol. Phys.
, in press
(2026)
Abstract
Full text
334. T. Zhao and A.I. Krylov
Analytic gradients for EOM-DEA-CCSD and EOM-DIP-CCSD: Theory, implementation, and application to diradicals
J. Chem. Phys.
165, 014116
(2026)
Abstract
PDF
333. P. Wojcik, H.Z. Zhou, T. Khvorsot, C.-G. Zhu, G. Lao, J.R. Caram, A.N. Alexandrova, E.R. Hudson, W.C. Campbell, and A.I. Krylov
Unraveling vibronic interactions in molecules functionalized with optical cycling centers
J. Chem. Phys.
164, 014306
(2026)
Abstract
PDF
332. Y. Paltiel, D. Goldberg, N. Yuran, S. Yochelis, J.H. Soh, C. Seibel, J. Gauss, S. Zilberg, S.F. Ozturk, J. Fransson, A.I. Krylov, and R. Naaman
The origin of the loss of mirror symmetry between enantiomers
Science Advances
, submitted
(2026)
Abstract
331. K.D. Sampson, G.B. Pipim, D. Depew, J. Torres, N. Tingey, K. Flynn, A.I. Krylov, and J. Wang
Collision-induced fragmentation of the EMI-BF4 propellant in electrospray thrusters: ab initio molecular dynamics simulations
J. Chem. Phys.
, submitted
(2026)
Abstract
330. 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
(2026)
Abstract
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