273. A.I. Krylov and J. Tanzman
Academic ideologues are corrupting STEM. The silent liberal majority must fight back.
Quillette
,
(2021)
Abstract
Full text
272. C. Hart, J. Lyle, J. Spellberg, A.I. Krylov, and R. Mabbs
On the role of the electron-dipole interaction in photodetachment angular distributions
J. Phys. Chem. Lett.
12, 10086 – 10092
(2021)
Abstract
PDF Supporting info
271. J. A. Gibbard, E. Castracane, A. I. Krylov, and R. E. Continetti
Photoelectron-photofragment coincidence spectroscopy of aromatic carboxylates: Benzoate and p-coumarate
Phys. Chem. Chem. Phys.
23, 18414 – 18424
(2021)
Abstract
PDF Supporting info
270. A. E. Clark, H. Adams, R. Hernandez, A. I. Krylov, A. M. N. Niklasson, S. Sarupria, Y. Wang, S. M. Wild, and Q. Yang
The Middle Science: Traversing scale in complex many-body systems
ACS Central Sci.
7, 1271 – 1287
(2021)
Abstract
Full text
269. S. Gulania and A. I. Krylov
Dissociative electron attachment in C2H via electronic resonances
Mol. Phys.
119, e1979262
(2021)
Abstract
PDF
268. A.I. Krylov
The peril of politicizing science
J. Phys. Chem. Lett.
12, 5371 – 5376
(2021)
Abstract
Full text
267. M. Alessio and A.I. Krylov
Equation-of-motion coupled-cluster protocol for calculating magnetic properties:
Theory and applications to single-molecule magnets
J. Chem. Theo. Comp.
17, 4225 – 4241
(2021)
Abstract
PDF Supporting info
266. E. Epifanovsky and 219 co-authors
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
J. Chem. Phys.
155, 084801
(2021)
Abstract
PDF
265. A.I. Krylov, J. Doyle, and K.-K. Ni
Quantum computing and quantum information storage: An introduction
Phys. Chem. Chem. Phys.
23, 6341 – 6343
(2021)
Abstract
PDF
264. K. Nanda and A.I. Krylov
The orbital picture of the first dipole hyperpolarizability from many-body response theory
J. Chem. Phys.
154, 184109
(2021)
Abstract
PDF Supporting info
263. V. Scutelnic, S. Tsuru, M. Papai, Z. Yang, M. Epshtein, T. Xue, E. Haugen, Y. Kobayashi, A.I. Krylov, K. B. Moller, S. Coriani, and S. R. Leone
X-ray transient absorption reveals the 1Au(n-pi*) state of pyrazine in electronic relaxation
Nature Comm.
12, 5003
(2021)
Abstract
PDF
262. S. Gulania, E. F. Kjonstad, J. F. Stanton, H. Koch, and A. I. Krylov
Equation-of-motion coupled-cluster method with double electron-attaching operators: Theory, implementation, and benchmarks
J. Chem. Phys. 154, 114115
(2021)
Abstract
PDF Supporting info
261. P. Pokhillko, D. Bezrukov, and A.I. Krylov
Is solid copper oxalate a spin chain or a mixture of entangled spin pairs?
J. Phys. Chem. C 125, 7502 – 7510
(2021)
Abstract
PDF Supporting info
260. S. Tsuru, M. Vidal, M. Papai, A.I. Krylov, K. B. Moller, and S. Coriani
An assessment of different electronic structure approaches for modeling time-resolved X-ray absorption spectroscopy
Struct. Dyn.
8, 024101
(2021)
Abstract
PDF Supporting info
259. W. Skomorowski and A.I. Krylov
Feshbach-Fano approach for calculation of Auger decay rates using
equation-of-motion coupled-cluster wave functions. I. Theory and implementation
J. Chem. Phys.
154, 084124
(2021)
Abstract
PDF
258. W. Skomorowski and A.I. Krylov
Feshbach-Fano approach for calculation of Auger decay rates using
equation-of-motion coupled-cluster wave functions. II. Numerical examples and benchmarks
J. Chem. Phys.
154, 084125
(2021)
Abstract
PDF Supporting info
257. T. Sen, Y. Ma, I. Polyakov, B. L. Grigorenko, A. V. Nemukhin, and A. I. Krylov
Interplay between locally excited and charge transfer states
governs the photoswitching mechanism in fluorescent protein Dreiklang
J. Phys. Chem. B 125, 757 – 770
(2021)
Abstract
PDF Supporting info
256. M.-A. Mroginski, S. Adam, G. S. Amoyal, A. Barnoy, A.-N. Bondar, V. Borin, J. R. Church, T. Domratcheva, B. Ensing, F. Fanelli, N. Ferre, O. Filiba, L. P. Gonzalez, R. Gonzalez, C. E. Gonzalez-Espinoza, R. K. Kar, L. Kemmler, S. S. Kim, J. Kongsted, A.I. Krylov, Y. Lahav, M. Lazaratos, Q. NasserEddin, I. Navizet, A.V. Nemukhin, M. Olivucci, J.M.H. Olsen, A. P. de Alba Ortiz, E. Pieri, A. G. Rao, Y. M. Rhee, N. Ricardi, S. Sen, I. Solov'yov, L. De Vico, T. A. Wesolowski, C. Wiebeler, X. Yang, and I. Schapiro
Frontiers in multiscale modelling of photoreceptor proteins
Photochem. Photobiol.
97, 243 – 269
(2021)
Abstract
PDF
