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Daniel S Levine
Daniel S Levine
Senior Scientist, Schrodinger Inc.
Verified email at schrodinger.com
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Cited by
Cited by
Year
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ...
The Journal of chemical physics 155 (8), 084801, 2021
2272021
Isolation of Pure Disubstituted E Olefins through Mo-Catalyzed Z-Selective Ethenolysis of Stereoisomeric Mixtures
SC Marinescu, DS Levine, Y Zhao, RR Schrock, AH Hoveyda
Journal of the American Chemical Society 133 (30), 11512-11514, 2011
1012011
Modern approaches to exact diagonalization and selected configuration interaction with the adaptive sampling CI method
NM Tubman, CD Freeman, DS Levine, D Hait, M Head-Gordon, ...
Journal of chemical theory and computation 16 (4), 2139-2159, 2020
912020
The ground state electronic energy of benzene
JJ Eriksen, TA Anderson, JE Deustua, K Ghanem, D Hait, MR Hoffmann, ...
The journal of physical chemistry letters 11 (20), 8922-8929, 2020
882020
CASSCF with extremely large active spaces using the adaptive sampling configuration interaction method
DS Levine, D Hait, NM Tubman, S Lehtola, KB Whaley, M Head-Gordon
Journal of chemical theory and computation 16 (4), 2340-2354, 2020
782020
Expanded helicenes: a general synthetic strategy and remarkable supramolecular and solid-state behavior
GR Kiel, SC Patel, PW Smith, DS Levine, TD Tilley
Journal of the American Chemical Society 139 (51), 18456-18459, 2017
692017
Energy decomposition analysis of single bonds within Kohn–Sham density functional theory
DS Levine, M Head-Gordon
Proceedings of the National Academy of Sciences 114 (48), 12649-12656, 2017
662017
Variational energy decomposition analysis of chemical bonding. 1. Spin-pure analysis of single bonds
DS Levine, PR Horn, Y Mao, M Head-Gordon
Journal of chemical theory and computation 12 (10), 4812-4820, 2016
552016
Aryl group transfer from tetraarylborato anions to an electrophilic dicopper (I) center and mixed-valence μ-aryl dicopper (I, II) complexes
MS Ziegler, DS Levine, KV Lakshmi, TD Tilley
Journal of the American Chemical Society 138 (20), 6484-6491, 2016
522016
Isomer-specific vibronic structure of the 9-, 1-, and 2-anthracenyl radicals via slow photoelectron velocity-map imaging
ML Weichman, JA DeVine, DS Levine, JB Kim, DM Neumark
Proceedings of the National Academy of Sciences 113 (7), 1698-1705, 2016
462016
Manganese–cobalt oxido cubanes relevant to manganese-doped water oxidation catalysts
AI Nguyen, DLM Suess, LE Darago, PH Oyala, DS Levine, MS Ziegler, ...
Journal of the American Chemical Society 139 (15), 5579-5587, 2017
432017
C–H bond activations by monoanionic, PNP-supported scandium dialkyl complexes
DS Levine, TD Tilley, RA Andersen
Organometallics 34 (19), 4647-4655, 2015
402015
What levels of coupled cluster theory are appropriate for transition metal systems? a study using near-exact quantum chemical values for 3d transition metal binary compounds
D Hait, NM Tubman, DS Levine, KB Whaley, M Head-Gordon
Journal of chemical theory and computation 15 (10), 5370-5385, 2019
382019
Synthetic control and empirical prediction of redox potentials for Co 4 O 4 cubanes over a 1.4 V range: Implications for catalyst design and evaluation of high-valent …
AI Nguyen, J Wang, DS Levine, MS Ziegler, TD Tilley
Chemical science 8 (6), 4274-4284, 2017
382017
Evidence for the existence of group 3 terminal methylidene complexes
DS Levine, TD Tilley, RA Andersen
Organometallics 36 (1), 80-88, 2017
372017
Lewis acid–base interactions between platinum (II) diaryl complexes and bis (perfluorophenyl) zinc: strongly accelerated reductive elimination induced by a Z-type ligand
AL Liberman-Martin, DS Levine, MS Ziegler, RG Bergman, TD Tilley
Chemical Communications 52 (43), 7039-7042, 2016
342016
Postponing the orthogonality catastrophe: efficient state preparation for electronic structure simulations on quantum devices
NM Tubman, C Mejuto-Zaera, JM Epstein, D Hait, DS Levine, W Huggins, ...
arXiv preprint arXiv:1809.05523, 2018
332018
An efficient deterministic perturbation theory for selected configuration interaction methods
NM Tubman, DS Levine, D Hait, M Head-Gordon, KB Whaley
arXiv preprint arXiv:1808.02049, 2018
332018
From intermolecular interaction energies and observable shifts to component contributions and back again: A tale of variational energy decomposition analysis
Y Mao, M Loipersberger, PR Horn, A Das, O Demerdash, DS Levine, ...
Annual review of physical chemistry 72 (1), 2021
312021
Biaryl Reductive Elimination Is Dramatically Accelerated by Remote Lewis Acid Binding to a 2, 2′-Bipyrimidyl–Platinum Complex: Evidence for a Bidentate Ligand Dissociation …
AL Liberman-Martin, DS Levine, W Liu, RG Bergman, TD Tilley
Organometallics 35 (8), 1064-1069, 2016
312016
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