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Jan H Jensen

Showing results (11-20 of 85) with videos related to

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Beilstein Journal of Organic Chemistry|July 1, 2025
Enhancing chemical synthesis planning: automated quantum mechanics-based regioselectivity prediction for C-H activation with directing groupsJulius Seumer, Nicolai Ree, Jan H Jensen
Proteins|April 23, 2004
The determinants of carboxyl pKa values in turkey ovomucoid third domainHui Li, Andrew D Robertson, Jan H Jensen
The Journal of Chemical Physics|June 16, 2006
Charge transfer interaction in the effective fragment potential methodHui Li, Mark S Gordon, Jan H Jensen
Angewandte Chemie (International Ed. in English)|October 13, 2023
Toward De Novo Catalyst Discovery: Fast Identification of New Catalyst Candidates for Alcohol-Mediated Morita-Baylis-Hillman ReactionsMaria H Rasmussen, Julius Seumer, Jan H Jensen
The Journal of Chemical Physics|September 17, 2018
Improving solvation energy predictions using the SMD solvation method and semiempirical electronic structure methodsJimmy C Kromann, Casper Steinmann, Jan H Jensen
Journal of Computational Chemistry|October 8, 2003
Intraprotein electrostatics derived from first principles: divide-and-conquer approaches for QM/MM calculationsPablo A Molina, Hui Li, Jan H Jensen
Proteins|October 19, 2005
Very fast empirical prediction and rationalization of protein pKa valuesHui Li, Andrew D Robertson, Jan H Jensen
Peerj|April 2, 2014
FragBuilder: an efficient Python library to setup quantum chemistry calculations on peptides modelsAnders S Christensen, Thomas Hamelryck, Jan H Jensen
The Journal of Physical Chemistry. B|June 28, 2006
FTIR spectroscopy combined with isotope labeling and quantum chemical calculations to investigate adsorbed bicarbonate formation following reaction of carbon dioxide with surface hydroxyl groups on Fe2O3 and Al2O3Jonas Baltrusaitis, Jan H Jensen, Vicki H Grassian
ACS Omega|December 19, 2022
What the Heck?-Automated Regioselectivity Calculations of Palladium-Catalyzed Heck Reactions Using Quantum ChemistryNicolai Ree, Andreas H Göller, Jan H Jensen
Pageof 9

Showing results (11-20 of 85) with videos related to

Sort By:
Pageof 9
Beilstein Journal of Organic Chemistry|July 1, 2025
Enhancing chemical synthesis planning: automated quantum mechanics-based regioselectivity prediction for C-H activation with directing groupsJulius Seumer, Nicolai Ree, Jan H Jensen
Proteins|April 23, 2004
The determinants of carboxyl pKa values in turkey ovomucoid third domainHui Li, Andrew D Robertson, Jan H Jensen
The Journal of Chemical Physics|June 16, 2006
Charge transfer interaction in the effective fragment potential methodHui Li, Mark S Gordon, Jan H Jensen
Angewandte Chemie (International Ed. in English)|October 13, 2023
Toward De Novo Catalyst Discovery: Fast Identification of New Catalyst Candidates for Alcohol-Mediated Morita-Baylis-Hillman ReactionsMaria H Rasmussen, Julius Seumer, Jan H Jensen
The Journal of Chemical Physics|September 17, 2018
Improving solvation energy predictions using the SMD solvation method and semiempirical electronic structure methodsJimmy C Kromann, Casper Steinmann, Jan H Jensen
Journal of Computational Chemistry|October 8, 2003
Intraprotein electrostatics derived from first principles: divide-and-conquer approaches for QM/MM calculationsPablo A Molina, Hui Li, Jan H Jensen
Proteins|October 19, 2005
Very fast empirical prediction and rationalization of protein pKa valuesHui Li, Andrew D Robertson, Jan H Jensen
Peerj|April 2, 2014
FragBuilder: an efficient Python library to setup quantum chemistry calculations on peptides modelsAnders S Christensen, Thomas Hamelryck, Jan H Jensen
The Journal of Physical Chemistry. B|June 28, 2006
FTIR spectroscopy combined with isotope labeling and quantum chemical calculations to investigate adsorbed bicarbonate formation following reaction of carbon dioxide with surface hydroxyl groups on Fe2O3 and Al2O3Jonas Baltrusaitis, Jan H Jensen, Vicki H Grassian
ACS Omega|December 19, 2022
What the Heck?-Automated Regioselectivity Calculations of Palladium-Catalyzed Heck Reactions Using Quantum ChemistryNicolai Ree, Andreas H Göller, Jan H Jensen
Pageof 9