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X
Martinez, Todd J.
1285  Ergebnisse:
Personensuche X
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1

Prediction of photodynamics of 200 nm excited cyclobutanone..:

Hait, Diptarka ; Lahana, Dean ; Fajen, O. Jonathan...
The Journal of Chemical Physics.  160 (2024)  24 - p. , 2024
Link: https://doi.org/10.1063/..
 
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2

Conical Intersection Accessibility Dictates Brightness in R..:

Pieri, Elisa ; Walker, Alice R. ; Zhu, Mingning.
Journal of the American Chemical Society.  146 (2024)  26 - p. 17646-17658 , 2024
Link: https://doi.org/10.1021/..
 
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3

Predicting the X-ray Absorption Spectrum of Ozone with Sing..:

Hait, Diptarka ; Martínez, Todd J.
Journal of Chemical Theory and Computation.  , 2024
Link: https://doi.org/10.1021/..
 
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4

Chemical control of excited-state reactivity of the anionic..:

List, Nanna H. ; Jones, Chey M. ; Martínez, Todd J.
Communications Chemistry.  7 (2024)  1 - p. , 2024
Link: https://doi.org/10.1038/..
 
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5

Tensor Hypercontraction of Cluster Perturbation Theory: Qua..:

Hillers-Bendtsen, Andreas Erbs ; Mikkelsen, Kurt V. ; Martinez, Todd J.
Journal of Chemical Theory and Computation.  , 2024
Link: https://doi.org/10.1021/..
 
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6

QuTree: A tree tensor network package:

Ellerbrock, Roman ; Johnson, K. Grace ; Seritan, Stefan...
The Journal of Chemical Physics.  160 (2024)  11 - p. , 2024
Link: https://doi.org/10.1063/..
 
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7

Sparse adaptive basis set methods for solution of the time ..:

Thompson, Keiran C. ; Martinez, Todd J.
Molecular Physics.  122 (2023)  7-8 - p. , 2023
Link: https://doi.org/10.1080/..
 
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8

TeraChem protocol buffers (TCPB): Accelerating QM and QM/MM..:

Cruzeiro, Vinícius Wilian D. ; Wang, Yuanheng ; Pieri, Elisa..
The Journal of Chemical Physics.  158 (2023)  4 - p. , 2023
Link: https://doi.org/10.1063/..
 
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9

First principles reaction discovery: from the Schrodinger e..:

Xu, Rui ; Meisner, Jan ; Chang, Alexander M...
Chemical Science.  14 (2023)  27 - p. 7447-7464 , 2023
Link: https://doi.org/10.1039/..
 
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10

Simulation-guided engineering of split GFPs with efficient ..:

Shamsudin, Yasmin ; Walker, Alice R. ; Jones, Chey M...
Nature Communications.  14 (2023)  1 - p. , 2023
Link: https://doi.org/10.1038/..
 
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11

Efficient Acceleration of Reaction Discovery in the Ab Init..:

Chang, Alexander M. ; Meisner, Jan ; Xu, Rui.
The Journal of Physical Chemistry A.  127 (2023)  45 - p. 9580-9589 , 2023
Link: https://doi.org/10.1021/..
 
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12

SQMBox: Interfacing a semiempirical integral library to mod..:

Bannwarth, Christoph ; Martínez, Todd J.
The Journal of Chemical Physics.  158 (2023)  7 - p. , 2023
Link: https://doi.org/10.1063/..
 
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13

A Nitrogen Out-of-Plane (NOOP) Mechanism for Imine-Based Li..:

Liu, Lihong ; Fang, Wei-Hai ; Martinez, Todd J.
Journal of the American Chemical Society.  145 (2023)  12 - p. 6888-6898 , 2023
Link: https://doi.org/10.1021/..
 
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14

Simulating the Excited-State Dynamics of Polaritons with Ab..:

Rana, Bhaskar ; Hohenstein, Edward G. ; Martínez, Todd J.
The Journal of Physical Chemistry A.  128 (2023)  1 - p. 139-151 , 2023
Link: https://doi.org/10.1021/..
 
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15

2021 JCP Emerging Investigator Special Collection:

Ceriotti, Michele ; Jensen, Lasse ; Manolopoulos, David E....
The Journal of Chemical Physics.  158 (2023)  6 - p. , 2023
Link: https://doi.org/10.1063/..
 
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