303. C.J. Clark, L. Jussim, K. Frey, S.T. Stevens, M. al-Gharbi, K. Aquino, J.M. Bailey, N. Barbaro, R.F. Baumeister, A. Bleske-Rechek, D. Buss, S. Ceci, M. Del Giudice, P.H. Ditto, J.P. Forgas, D.C. Geary, G. Geher, S. Haider, N. Honeycutt, H. Joshi, A.I. Krylov, E. Loftus, G. Loury, L. Lu, M. Macy, C.C. Martin, J. McWhorter, G. Miller, P. Paresky, S. Pinker, W. Reily, C. Salmon, S. Stewart-Williams, P.E. Tetlock, W. Williams, A.E. Wilson, B.M. Winegard, G. Yancey, and W. von Hippel
Prosocial motives underlie scientific censorship by scientists: A perspective and research agenda
PNAS  120, e2301642120 (2023) Abstract  PDF 

302. N.K. Jayadev, W. Skomorowski, and A.I. Krylov
Molecular-orbital framework of two-electron processes: Application to Auger and intermolecular Coulomb decay
J. Phys. Chem. Lett.  14, 8612 – 8619 (2023) Abstract  PDF Supporting info

301. S. Kaehler, A. Cebreiro, P. Pokhilko, D. Casanova, and A.I. Krylov
State-interaction approach for evaluating g-tensors within EOM-CC and RAS-CI frameworks: Theory and benchmarks
J. Phys. Chem. A  127, 8459 – 8472 (2023) Abstract  PDF Supporting info

300. K. Chatterjee, Z. Koczor-Benda, X. Feng, A.I. Krylov, and T.-C. Jagau
Analytic evaluation of non-adiabatic couplings within the complex absorbing potential equation-of-motion coupled-cluster method
J. Chem. Theo. Comp.  19, 5281 – 5834 (2023) Abstract  PDF 

299. A. Patra, A.I. Krylov, and S.M. Sharada
Simulating excited-state complex ensembles: Fluorescence and solvatochromism in amine-arene exciplexes
J. Chem. Phys.  159, 064101 (2023) Abstract  PDF Supporting info

298. D. Abbot, A. Bikfalvi, A.L. Bleske-Rechek, W. Bodmer, P. Boghossian, C.M. Carvalho, J. Ciccolini, J.A. Coyne, J. Gauss, P.M.W. Gill, S. Jitomirskaya, L. Jussim, A.I. Krylov, G.C. Loury, P. Nayna Schwerdtle, L. Maroja, J.H. McWhorter, S. Moosavi, J. Pearl, M.A. Quintanilla-Tornel, H.F. Schaefer III, P.R. Schreiner, P. Schwerdtfeger, D. Shechtman, M. Schifman, J. Tanzman, B.L. Trout, A. Warshel, and J.D. West
In defense of merit in science
Journal of Controversial Ideas  3, 1 – 26 (2023) Abstract  Full text  Supporting info

297. Y. Kim and A.I. Krylov
Two algorithms for excited-states quantum solvers: Theory and application to EOM-UCCSD
J. Phys. Chem. A  127, 6552 – 6566 (2023) Abstract  PDF 

296. T.D. Crawford, A.I. Krylov, T. Van Voorhis, and H.F. Schaefer
MQM 2022: The 10th triennial conference on Molecular Quantum Mechanics
J. Phys. Chem. A  127, 4897 – 4900 (2023) Abstract  PDF 

295. A.I. Krylov and J. Tanzman
Critical Social Justice subverts scientific publishing
European Review 31, 527 – 546 (2023) Abstract  Full text  Preprint

294. N.K. Jayadev, A. Ferino-Perez, F. Matz, A.I. Krylov, and T.-C. Jagau
The Auger spectrum of benzene
J. Chem. Phys.  158, 064109 (2023) Abstract  PDF 

293. M. Epstein, B.N. Cabral Tenorio, M.L. Vidal, V. Scutelnic, Z. Yang, T. Xue, A.I. Krylov, S. Coriani, and S.R. Leone
Signatures of the bromine atom and open-shell spin-coupling in the x-ray spectrum of bromobenzene cation
J. Am. Chem. Soc.  145, 3554 – 3560 (2023) Abstract  PDF 

292. K.D. Nanda, S. Gulania, and A.I. Krylov
Theory, implementation, and disappointing results for two-photon absorption cross sections within the doubly electron-attached equation-of-motion coupled-cluster framework
J. Chem. Phys.  158, 054102 (2023) Abstract  PDF 

291. M.M. Foreman, M. Alessio, A.I. Krylov, and J.M. Weber
Influence of transition metal electron configuration on the structure of metal-EDTA complexes
J. Phys. Chem. A  127, 2258 – 2264 (2023) Abstract  PDF 

290. M. Alessio, S. Kotaru, G. Giudetti, and A.I. Krylov
Origin of magnetic anisotropy in nickelocene molecular magnet and resilience of its magnetic behavior
J. Phys. Chem. C  127, 3647 – 3659 (2023) Abstract  PDF Supporting info

289. B.L. Grigorenko, I. Polyakov, G. Giudetti, S. Faraji, A.I. Krylov, and A.V. Nemukhin
QM/MM simulations of the covalent inhibition of the SARS-CoV-2 main protease: Four compounds and three reaction mechanisms
J. Am. Chem. Soc.  145, 13204 – 13214 (2023) Abstract  PDF 

288. S. Kotaru, M. Alessio, S. Kaehler, and A.I. Krylov
Magnetic exchange interactions in binuclear and tetranuclear iron (III) complexes described by spin-flip DFT and Heisenberg effective Hamiltonians
J. Comp. Chem.  44, 367 – 380 (2023) Abstract  PDF 

287. R. Sarangi, K. Nanda, and A.I. Krylov
Charge-transfer-to-solvent states provide a sensitive spectroscopic probe of the local solvent structure around anions
Mol. Phys.  121, e2148582 (2023) Abstract  PDF 

286. P. Wojcik, E.R. Hudson, and A.I. Krylov
On the prospects of optical cycling in diatomic cations: Effects of transition metals, spin-orbit couplings, and multiple bonds
Mol. Phys.  121, e2107582 (2023) Abstract  PDF