Troy Van Voorhis
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Advances in methods and algorithms in a modern quantum chemistry program package
Y Shao, LF Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ...
Physical Chemistry Chemical Physics 8 (27), 3172-3191, 2006
26322006
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ...
Molecular Physics 113 (2), 184-215, 2015
22332015
Nonlocal van der Waals density functional: The simpler the better
OA Vydrov, T Van Voorhis
The Journal of chemical physics 133 (24), 244103, 2010
9062010
A novel form for the exchange-correlation energy functional
T Van Voorhis, GE Scuseria
The Journal of chemical physics 109 (2), 400-410, 1998
8881998
External quantum efficiency above 100% in a singlet-exciton-fission–based organic photovoltaic cell
DN Congreve, J Lee, NJ Thompson, E Hontz, SR Yost, PD Reusswig, ...
Science 340 (6130), 334-337, 2013
7932013
Q‐Chem 2.0: a high‐performance ab initio electronic structure program package
J Kong, CA White, AI Krylov, D Sherrill, RD Adamson, TR Furlani, MS Lee, ...
Journal of Computational Chemistry 21 (16), 1532-1548, 2000
6652000
NWChem, A computational chemistry package for parallel computers, version 5.1
EJ Bylaska, WA De Jong, N Govind, K Kowalski, TP Straatsma, M Valiev, ...
Pacific Northwest National Laboratory, Richland, Washington 99352, 0999, 2007
5522007
Direct optimization method to study constrained systems within density-functional theory
Q Wu, T Van Voorhis
Physical Review A 72 (2), 024502, 2005
4832005
Constrained density functional theory
B Kaduk, T Kowalczyk, T Van Voorhis
Chemical reviews 112 (1), 321-370, 2012
4362012
Electronic design criteria for O− O bond formation via metal− oxo complexes
TA Betley, Q Wu, T Van Voorhis, DG Nocera
Inorganic chemistry 47 (6), 1849-1861, 2008
4122008
Charge transfer state versus hot exciton dissociation in polymer− fullerene blended solar cells
J Lee, K Vandewal, SR Yost, ME Bahlke, L Goris, MA Baldo, JV Manca, ...
Journal of the American Chemical Society 132 (34), 11878-11880, 2010
3922010
Nonlocal van der Waals density functional made simple
OA Vydrov, T Van Voorhis
Physical review letters 103 (6), 063004, 2009
3912009
A transferable model for singlet-fission kinetics
SR Yost, J Lee, MWB Wilson, T Wu, DP McMahon, RR Parkhurst, ...
Nature chemistry 6 (6), 492-497, 2014
3902014
Solid-state infrared-to-visible upconversion sensitized by colloidal nanocrystals
M Wu, DN Congreve, MWB Wilson, J Jean, N Geva, M Welborn, ...
Nature Photonics 10 (1), 31-34, 2016
3242016
The diabatic picture of electron transfer, reaction barriers, and molecular dynamics
T Van Voorhis, T Kowalczyk, B Kaduk, LP Wang, CL Cheng, Q Wu
Annual review of physical chemistry 61, 149-170, 2010
3202010
Extracting electron transfer coupling elements from constrained density functional theory
Q Wu, T Van Voorhis
The Journal of chemical physics 125 (16), 164105, 2006
3132006
Cation-dependent intrinsic electrical conductivity in isostructural tetrathiafulvalene-based microporous metal–organic frameworks
SS Park, ER Hontz, L Sun, CH Hendon, A Walsh, T Van Voorhis, ...
Journal of the American Chemical Society 137 (5), 1774-1777, 2015
2872015
Singlet exciton fission photovoltaics
J Lee, P Jadhav, PD Reusswig, SR Yost, NJ Thompson, DN Congreve, ...
Accounts of chemical research 46 (6), 1300-1311, 2013
2672013
Constrained density functional theory and its application in long-range electron transfer
Q Wu, T Van Voorhis
Journal of Chemical Theory and Computation 2 (3), 765-774, 2006
2672006
Thermally activated delayed fluorescence materials based on homoconjugation effect of donor–acceptor triptycenes
K Kawasumi, T Wu, T Zhu, HS Chae, T Van Voorhis, MA Baldo, ...
Journal of the American Chemical Society 137 (37), 11908-11911, 2015
2502015
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Artículos 1–20