引用次数
引用: 43,964
H-指数: 54
I10-指数 : 116
出版物: 150
An approximate formula for the intermolecular Pauli repulsion between closed shell molecules
JAN H JENSEN MARK S GORDON
Molecular Physics 89 ( 5) 1313 -1325
61
1996
Molecular Modeling Basics
Jan H. Jensen
34
2010
High Througput pKa Prediction Using Semi Empirical Methods
Jan H. Jensen
arXiv: Chemical Physics
1
2015
RegioSQM20: improved prediction of the regioselectivity of electrophilic aromatic substitutions.
Jan H. Jensen , Andreas H. Göller , Nicolai Ree
Journal of Cheminformatics 13 ( 1) 10 -10
2021
High throughput virtual screening of 230 billion molecular solar heat battery candidates
Kurt V. Mikkelsen , Mogens Brøndsted Nielsen , Jan H. Jensen , Mads Koerstz
PeerJ 3
3
2021
Chemical Space Exploration: How Genetic Algorithms Find the Needle in the Haystack
Emilie S. Henault , Maria H. Rasmussen , Jan H. Jensen
PeerJ 2
6
2020
Fast and automatic estimation of transition state structures using tight binding quantum chemical calculations
Maria H. Rasmussen , Jan H. Jensen
PeerJ 2
2020
Pathways for H2 elimination from ethylene: A theoretical study
Jan H. Jensen , Keiji Morokuma , Mark S. Gordon
Journal of Chemical Physics 100 ( 3) 1981 -1987
43
1994
A graph-based genetic algorithm and generative model/Monte Carlo tree search for the exploration of chemical space
Jan H. Jensen
Chemical Science 10 ( 12) 3567 -3572
172
2019
Splicing I: using mixed basis sets in AB Initio calculations
Jan H. Jensen , Mark S. Gordon
Journal of Computational Chemistry 12 ( 4) 421 -426
9
1991
Prediction of pKa values using the PM6 semiempirical method.
Jimmy C. Kromann , Frej Larsen , Hadeel Moustafa , Jan H. Jensen
PeerJ 4 ( 8)
16
2016
Charge transfer interaction in the effective fragment potential method
Hui Li , Mark S. Gordon , Jan H. Jensen
Journal of Chemical Physics 124 ( 21) 214108 -214108
57
2006
Interface of the Polarizable Continuum Model of Solvation with Semi-Empirical Methods in the GAMESS Program
Casper Steinmann , Kristoffer L. Blædel , Anders S. Christensen , Jan H. Jensen
PLoS ONE 8 ( 7) e67725
11
2013
Chemically accurate protein structures: Validation of protein NMR structures by comparison of measured and predicted pK a values
N. Powers , Jan H. Jensen
Journal of Biomolecular NMR 35 ( 1) 39 -51
10
2006
Using a genetic algorithm to find molecules with good docking scores
Casper Steinmann , Jan H. Jensen
PeerJ 3
1
2021
Evaluation of Charge Penetration Between Distributed Multipolar Expansions
Mark A. Freitag , Mark S. Gordon , Jan H. Jensen , Walter J. Stevens
Journal of Chemical Physics 112 ( 17) 7300 -7306
119
2000
Analytic gradient for the adaptive frozen orbital bond detachment in the fragment molecular orbital method
Dmitri G. Fedorov , Pavel V. Avramov , Jan H. Jensen , Kazuo Kitaura
Chemical Physics Letters 477 ( 1) 169 -175
60
2009
Uncatalyzed Peptide Bond Formation In the Gas Phase
Jan H. Jensen , Kim K. Baldridge , Mark S. Gordon
The Journal of Physical Chemistry 96 ( 21) 8340 -8351
56
1992
My flipped classroom: what I did and how I did it
Jan H. Jensen
PeerJ Inc.
2015
Hybrid RHF/MP2 geometry optimizations with the effective fragment molecular orbital method.
Anders S. Christensen , Casper Steinmann , Dmitri G. Fedorov , Jan H. Jensen
PLOS ONE 9 ( 2)
7
2014
Hui Li Kim Baldridge Theresa L. Windus Stephen T Elbert Michel Dupuis Nikita Matsunaga John Montgomery Kiet A. Nguyen Casper Steinmann Anders S. Christensen Jimmy Charnley Kromann Luca De Vico Visvaldas Kairys David M. Rogers Nathan Baker Jens Erik Nielsen Paul Czodrowski Gerhard Klebe Jonas Baltrusaitis