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Leif D. Jacobson
92
results:
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Format
Online (91)
Print (1)
Mediatypes
Articles (Online) (43)
Articles (Print) (1)
OpenAccess-fulltext (48)
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english (60)
swedish (12)
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1
Development of scalable and generalizable machine learned f..:
Mohanty, Shaswat
;
Stevenson, James
;
Browning, Andrea R.
...
Scientific Reports. 13 (2023) 1 - p. , 2023
Link:
https://doi.org/10.1038/..
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2
Accurate Quantum Chemical Reaction Energies for Lithium-Med..:
Debnath, Sibali
;
Neufeld, Verena A.
;
Jacobson, Leif D.
...
The Journal of Physical Chemistry A. 127 (2023) 44 - p. 9178-9184 , 2023
Link:
https://doi.org/10.1021/..
?
3
Transferable Neural Network Potential Energy Surfaces for C..:
Jacobson, Leif D.
;
Stevenson, James M.
;
Ramezanghorbani, Farhad
...
Journal of Chemical Theory and Computation. 18 (2022) 4 - p. 2354-2366 , 2022
Link:
https://doi.org/10.1021/..
?
4
High-Dimensional Neural Network Potential for Liquid Electr..:
Dajnowicz, Steven
;
Agarwal, Garvit
;
Stevenson, James M.
...
The Journal of Physical Chemistry B. 126 (2022) 33 - p. 6271-6280 , 2022
Link:
https://doi.org/10.1021/..
?
5
Software for the frontiers of quantum chemistry: An overvie..:
Epifanovsky, Evgeny
;
Gilbert, Andrew T. B.
;
Feng, Xintian
...
The Journal of Chemical Physics. 155 (2021) 8 - p. , 2021
Link:
https://doi.org/10.1063/..
?
6
Pattern-free generation and quantum mechanical scoring of r..:
Levine, Daniel S.
;
Watson, Mark A.
;
Jacobson, Leif D.
...
Journal of Computer-Aided Molecular Design. 35 (2020) 4 - p. 417-431 , 2020
Link:
https://doi.org/10.1007/..
?
7
Toward Atomistic Modeling of Irreversible Covalent Inhibito..:
Yu, Haoyu S.
;
Gao, Cen
;
Lupyan, Dmitry
...
Journal of Chemical Information and Modeling. 59 (2019) 9 - p. 3955-3967 , 2019
Link:
https://doi.org/10.1021/..
?
8
Automated Transition State Search and Its Application to Di..:
Jacobson, Leif D.
;
Bochevarov, Art D.
;
Watson, Mark A.
...
Journal of Chemical Theory and Computation. 13 (2017) 11 - p. 5780-5797 , 2017
Link:
https://doi.org/10.1021/..
?
9
Advances in molecular quantum chemistry contained in the Q-..:
Shao, Yihan
;
Gan, Zhengting
;
Epifanovsky, Evgeny
...
Molecular Physics. 113 (2014) 2 - p. 184-215 , 2014
Link:
https://doi.org/10.1080/..
?
10
Rapid computation of intermolecular interactions in molecul..:
Herbert, John M.
;
Jacobson, Leif D.
;
Un Lao, Ka
.
Physical Chemistry Chemical Physics. 14 (2012) 21 - p. 7679 , 2012
Link:
https://doi.org/10.1039/..
?
11
An efficient, fragment-based electronic structure method fo..:
Jacobson, Leif D.
;
Herbert, John M.
The Journal of Chemical Physics. 134 (2011) 9 - p. , 2011
Link:
https://doi.org/10.1063/..
?
12
A Simple Algorithm for Determining Orthogonal, Self-Consist..:
Jacobson, Leif D.
;
Herbert, John M.
Journal of Chemical Theory and Computation. 7 (2011) 7 - p. 2085-2093 , 2011
Link:
https://doi.org/10.1021/..
?
13
Structure of the Aqueous Electron: Assessment of One-Electr..:
Herbert, John M.
;
Jacobson, Leif D.
The Journal of Physical Chemistry A. 115 (2011) 50 - p. 14470-14483 , 2011
Link:
https://doi.org/10.1021/..
?
14
Comment on "Does the Hydrated Electron Occupy a Cavity?":
Jacobson, Leif D.
;
Herbert, John M.
Science. 331 (2011) 6023 - p. 1387-1387 , 2011
Link:
https://doi.org/10.1126/..
?
15
Nature's most squishy ion: The important role of solvent po..:
Herbert, John M.
;
Jacobson, Leif D.
International Reviews in Physical Chemistry. 30 (2011) 1 - p. 1-48 , 2011
Link:
https://doi.org/10.1080/..
1-15