272. J. Gibbard, E. Castracane, A.I. Krylov, and R. Continetti
Photoelectron-photofragment coincidence spectroscopy of aromatic carboxylates: Benzoate and p-coumarate
Phys. Chem. Chem. Phys. , (2021) Abstract 

271. 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. , submitted (2021) Abstract  PDF 

270. S. Gulania and A. I. Krylov
Dissociative electron attachment in C2H via electronic resonances
Mol. Phys. , submitted (2021) Abstract  Preprint

269. A.I. Krylov
The peril of politicizing science
J. Phys. Chem. Lett.  12, 5371 – 5376 (2021) Abstract  PDF 

268. 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

267. 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. , in press (2021) Abstract  Preprint

266. S. Gozem and A. I. Krylov
The ezSpectra suite: An easy-to-use toolkit for spectroscopy modeling
WIRES Comp. Mol. Sci. , e1546 (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. , submitted (2021) Abstract  Preprint