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Kromann, Jimmy C.
42
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Online (42)
Mediatypes
Articles (Online) (32)
OpenAccess-fulltext (10)
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1
Machine Learning for Fast, Quantum Mechanics-Based Approxim..:
Isert, Clemens
;
Kromann, Jimmy C.
;
Stiefl, Nikolaus
..
ACS Omega. 8 (2023) 2 - p. 2046-2056 , 2023
Link:
https://doi.org/10.1021/..
?
2
Improving solvation energy predictions using the SMD solvat..:
Kromann, Jimmy C.
;
Steinmann, Casper
;
Jensen, Jan H.
The Journal of Chemical Physics. 149 (2018) 10 - p. , 2018
Link:
https://doi.org/10.1063/..
?
3
Fast and accurate prediction of the regioselectivity of ele..:
Kromann, Jimmy C.
;
Jensen, Jan H.
;
Kruszyk, Monika
..
Chemical Science. 9 (2018) 3 - p. 660-665 , 2018
Link:
https://doi.org/10.1039/..
?
4
Empirical corrections and pair interaction energies in the ..:
Fedorov, Dmitri G.
;
Kromann, Jimmy C.
;
Jensen, Jan H.
Chemical Physics Letters. 706 (2018) - p. 328-333 , 2018
Link:
https://doi.org/10.1016/..
?
5
Intermolecular interactions in the condensed phase: Evaluat..:
Christensen, Anders S.
;
Kromann, Jimmy C.
;
Jensen, Jan H.
.
The Journal of Chemical Physics. 147 (2017) 16 - p. , 2017
Link:
https://doi.org/10.1063/..
?
6
Prediction of pKa values using the PM6 semiempirical method:
Kromann, Jimmy C.
;
Larsen, Frej
;
Moustafa, Hadeel
.
PeerJ. 4 (2016) - p. e2335 , 2016
Link:
https://doi.org/10.7717/..
?
7
Towards a barrier height benchmark set for biologically rel..:
Kromann, Jimmy C.
;
Christensen, Anders S.
;
Cui, Qiang
.
PeerJ. 4 (2016) - p. e1994 , 2016
Link:
https://doi.org/10.7717/..
?
8
Machine Learning for Fast, Quantum Mechanics-Based Approxim..:
Isert, Clemens
;
id_orcid:0 000-0002-4176-7887
;
Kromann, Jimmy C
...
info:eu-repo/semantics/altIdentifier/doi/10.1021/acsomega.2c05607. , 2023
Link:
https://hdl.handle.net/2..
?
9
Machine Learning for Fast, Quantum Mechanics-Based Approxim..:
Isert, Clemens
;
Kromann, Jimmy C
;
Stiefl, Nikolaus
..
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9850743/. , 2023
Link:
http://www.ncbi.nlm.nih...
?
10
Empirical corrections and pair interaction energies in the ..:
Fedorov, Dmitri G
;
Kromann, Jimmy C
;
Jensen, Jan H
http://arxiv.org/abs/1806.07628. , 2018
Link:
http://arxiv.org/abs/180..
?
11
Intermolecular interactions in the condensed phase: Evaluat..:
Christensen, Anders S
;
Kromann, Jimmy C
;
Jensen, Jan H
.
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5469681/. , 2017
Link:
http://www.ncbi.nlm.nih...
?
12
The Molecule Calculator: A web-server for fast quantum mech..:
Jensen, Jan H
;
Kromann, Jimmy C
http://arxiv.org/abs/1303.1679. , 2013
Link:
http://arxiv.org/abs/130..
?
13
Random versus Systematic Errors in Reaction Enthalpies Comp..:
Jimmy C. Kromann
;
Alexander Welford
;
Anders S. Christensen
.
http://dx.doi.org/10.1021/acsomega.8b00189. , 2018
Link:
https://doi.org/10.1021/..
?
14
Towards a barrier height benchmark set for biologically rel..:
Jimmy C. Kromann
;
Anders S. Christensen
;
Qiang Cui
.
https://peerj.com/articles/1994.pdf. , 2016
Link:
https://doi.org/10.7717/..
?
15
Prediction of pKa values using the PM6 semiempirical method:
Jimmy C. Kromann
;
Frej Larsen
;
Hadeel Moustafa
.
https://peerj.com/articles/2335.pdf. , 2016
Link:
https://doi.org/10.7717/..
1-15