344. J. Gauss, J.H. Soh, C. Seibel, N. Sahoo, and A.I. Krylov
Chirality-induced spin polarization: Some fundamental ingredients
Phys. Chem. Chem. Phys.
, submitted
(2026)
Abstract
Preprint
343. A. Chakraborty, Z. Pei, Y. Shao, and A.I. Krylov
New implementation of mixed-reference spin-flip time-dependent density functional theory and application to molecules with variable diradical character and conical intersections
J. Chem. Phys.
, submitted
(2026)
Abstract
Preprint
342. M. van Schilfgaarde, S. Acharya, K. Alberi, L.R. Baker, M.C. Beard, K. Belashchenko, J. Fransson, S. Hammes-Schiffer, M.A. Haque, M.F. Islam, A.I. Krylov, X. Li, J.M. Luther, N.T. Maitra, R. Naaman, M.R. Pederson, Y. Ping, Z. Tao, P.M. Theiler, V. Vlcek, D. Waldeck, B. Yan, I. Zutic, B. Peng, and D. Sun
Challenges and opportunities in chiral induced spin selectivity
Newton
, submitted
(2026)
Abstract
341. N.K. Jayadev, D. Mayer, F. Matx, F. Lever, L. Mehner, C. Walz, M.L. Murillo-Sanches, J. Bozek, T.-C. Jagau, M. Guehr, and A.I. Krylov
Auger spectra of thiouracils: Three molecules and four edges
J. Chem. Phys.
, submitted
(2026)
Abstract
Preprint
340. A.I. Krylov, J. Tanzman, E. D. Morris, J. Schaletzky, E. Atochina-Vasserman, and I. R. Efimov
Whiplash: Politicization and counter-politicization in research funding
Perspectives in Biology and Medicine
, in press
(2026)
Abstract
339. Y. Li, G. Giudetti, M. Jung Kim, R. Zhu, A.I. Krylov, and C. Zhang
Regioisomeric and substituent effects on the photophysics of stilbene RNA dyes
Biochemistry
, submitted
(2026)
Abstract
Preprint
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
130, 4125 – 4137
(2026)
Abstract
PDF Supporting info
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
, in press
(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.
164, 124116
(2026)
Abstract
PDF
335. A.I. Krylov
Introduction to the Alexander Vladimirovich Nemukhin special issue
Mol. Phys.
124, e2606597
(2026)
Abstract
PDF
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
Dynamic breaking of mirror symmetry in
spin-dependent electron transport through chiral
media causes enantiomeric excesses
Science Advances
12, eaec9325
(2026)
Abstract
PDF
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.
164, 164308
(2026)
Abstract
PDF
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.
124, e2396548
(2026)
Abstract
PDF Supporting info
