Nandini Ananth
Nandini Ananth
cornell.edu üzerinde doğrulanmış e-posta adresine sahip
Başlık
Alıntı yapanlar
Alıntı yapanlar
Yıl
The low-lying electronic states of pentacene and their roles in singlet fission
T Zeng, R Hoffmann, N Ananth
Journal of the American Chemical Society 136 (15), 5755-5764, 2014
1722014
Exact nonadditive kinetic potentials for embedded density functional theory
JD Goodpaster, N Ananth, FR Manby, TF Miller III
The Journal of chemical physics 133 (8), 084103, 2010
1682010
A direct mechanism of ultrafast intramolecular singlet fission in pentacene dimers
EG Fuemmeler, SN Sanders, AB Pun, E Kumarasamy, T Zeng, K Miyata, ...
ACS central science 2 (5), 316-324, 2016
1372016
Mapping variable ring polymer molecular dynamics: A path-integral based method for nonadiabatic processes
N Ananth
The Journal of chemical physics 139 (12), 124102, 2013
1142013
Direct simulation of electron transfer using ring polymer molecular dynamics: Comparison with semiclassical instanton theory and exact quantum methods
AR Menzeleev, N Ananth, TF Miller III
The Journal of chemical physics 135 (7), 074106, 2011
1142011
Tuning singlet fission in π-bridge-π chromophores
E Kumarasamy, SN Sanders, MJY Tayebjee, A Asadpoordarvish, ...
Journal of the American Chemical Society 139 (36), 12488-12494, 2017
1032017
Seeking small molecules for singlet fission: a heteroatom substitution strategy
T Zeng, N Ananth, R Hoffmann
Journal of the American Chemical Society 136 (36), 12638-12647, 2014
982014
Semiclassical description of electronically nonadiabatic dynamics via the initial value representation
N Ananth, C Venkataraman, WH Miller
The Journal of chemical physics 127 (8), 084114, 2007
922007
Exact quantum statistics for electronically nonadiabatic systems using continuous path variables
N Ananth, TF Miller III
The Journal of chemical physics 133 (23), 234103, 2010
712010
Mean field ring polymer molecular dynamics for electronically nonadiabatic reaction rates
JR Duke, N Ananth
Faraday discussions 195, 253-268, 2017
382017
Simulating excited state dynamics in systems with multiple avoided crossings using mapping variable ring polymer molecular dynamics
JR Duke, N Ananth
The journal of physical chemistry letters 6 (21), 4219-4223, 2015
382015
Deriving the exact nonadiabatic quantum propagator in the mapping variable representation
TJH Hele, N Ananth
Faraday discussions 195, 269-289, 2017
292017
Dynamically consistent method for mixed quantum-classical simulations: A semiclassical approach
SV Antipov, Z Ye, N Ananth
The Journal of chemical physics 142 (18), 184102, 2015
292015
A mapping variable ring polymer molecular dynamics study of condensed phase proton-coupled electron transfer
S Pierre, JR Duke, TJH Hele, N Ananth
The Journal of chemical physics 147 (23), 234103, 2017
252017
Validating and implementing modified Filinov phase filtration in semiclassical dynamics
MS Church, S Antipov, N Ananth
The Journal of Chemical Physics 146, 234104, 2017
242017
Flux-correlation approach to characterizing reaction pathways in quantum systems: A study of condensed-phase proton-coupled electron transfer
N Ananth, TF Miller III
Molecular Physics 110 (9-10), 1009-1015, 2012
242012
Nonadiabatic semiclassical dynamics in the mixed quantum-classical initial value representation
MS Church, TJH Hele, GS Ezra, N Ananth
The Journal of chemical physics 148 (10), 102326, 2018
222018
Direct simulation of electron transfer in the cobalt hexammine (II/III) self-exchange reaction
RL Kenion, N Ananth
Physical Chemistry Chemical Physics 18 (37), 26117-26124, 2016
122016
Non-adiabatic reactions: general discussion
SC Althorpe, N Ananth, G Angulo, RD Astumian, V Beniwal, J Blumberger, ...
Faraday discussions 195, 311-344, 2016
112016
Tuning spin-states of carbynes and silylynes: A long jump with one leg
T Zeng, H Wang, Y Lu, Y Xie, H Wang, HF Schaefer III, N Ananth, ...
Journal of the American Chemical Society 136 (38), 13388-13398, 2014
72014
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Makaleler 1–20