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Jimmy C Kromann

Showing results (1-10 of 8) with videos related to

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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
Peerj|September 8, 2016
Prediction of pKa values using the PM6 semiempirical methodJimmy C Kromann, Frej Larsen, Hadeel Moustafa, et al.
Peerj|May 12, 2016
Towards a barrier height benchmark set for biologically relevant systemsJimmy C Kromann, Anders S Christensen, Qiang Cui, et al.
ACS Omega|August 29, 2019
Random versus Systematic Errors in Reaction Enthalpies Computed Using Semiempirical and Minimal Basis Set MethodsJimmy C Kromann, Alexander Welford, Anders S Christensen, et al.
The Journal of Chemical Physics|November 4, 2017
Intermolecular interactions in the condensed phase: Evaluation of semi-empirical quantum mechanical methodsAnders S Christensen, Jimmy C Kromann, Jan H Jensen, et al.
Chemical Science|April 10, 2018
Fast and accurate prediction of the regioselectivity of electrophilic aromatic substitution reactionsJimmy C Kromann, Jan H Jensen, Monika Kruszyk, et al.
ACS Omega|January 23, 2023
Machine Learning for Fast, Quantum Mechanics-Based Approximation of Drug LipophilicityClemens Isert, Jimmy C Kromann, Nikolaus Stiefl, et al.
Peerj|July 16, 2014
A third-generation dispersion and third-generation hydrogen bonding corrected PM6 method: PM6-D3H+Jimmy C Kromann, Anders S Christensen, Casper Steinmann, et al.
Pageof 1

Showing results (1-10 of 8) with videos related to

Sort By:
Pageof 1
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
Peerj|September 8, 2016
Prediction of pKa values using the PM6 semiempirical methodJimmy C Kromann, Frej Larsen, Hadeel Moustafa, et al.
Peerj|May 12, 2016
Towards a barrier height benchmark set for biologically relevant systemsJimmy C Kromann, Anders S Christensen, Qiang Cui, et al.
ACS Omega|August 29, 2019
Random versus Systematic Errors in Reaction Enthalpies Computed Using Semiempirical and Minimal Basis Set MethodsJimmy C Kromann, Alexander Welford, Anders S Christensen, et al.
The Journal of Chemical Physics|November 4, 2017
Intermolecular interactions in the condensed phase: Evaluation of semi-empirical quantum mechanical methodsAnders S Christensen, Jimmy C Kromann, Jan H Jensen, et al.
Chemical Science|April 10, 2018
Fast and accurate prediction of the regioselectivity of electrophilic aromatic substitution reactionsJimmy C Kromann, Jan H Jensen, Monika Kruszyk, et al.
ACS Omega|January 23, 2023
Machine Learning for Fast, Quantum Mechanics-Based Approximation of Drug LipophilicityClemens Isert, Jimmy C Kromann, Nikolaus Stiefl, et al.
Peerj|July 16, 2014
A third-generation dispersion and third-generation hydrogen bonding corrected PM6 method: PM6-D3H+Jimmy C Kromann, Anders S Christensen, Casper Steinmann, et al.
Pageof 1