Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Filters

Marcel Swart

Showing results (31-40 of 123) with videos related to

Pageof 13
Sort By:
The Journal of Physical Chemistry. A|August 8, 2025
Computational Exploration of Xe Dimers Inside Fullerene CagesAthul Santha Bhaskaran, Sílvia Osuna, Marcel Swart
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces|January 15, 2025
Density Functional Theory Investigation of 2D Phase Separated Graphene/Hexagonal Boron Nitride Monolayers; Band Gap, Band Edge Positions, and Photo ActivityEoin M O'Sullivan, Nicole Grobert, Marcel Swart
Journal of Chemical Information and Modeling|January 19, 2019
The Irony of Manganocene: An Interplay between the Jahn-Teller Effect and Close-Lying Electronic and Spin StatesStepan Stepanović, Matija Zlatar, Marcel Swart, et al.
The Journal of Chemical Physics|March 3, 2005
Microscopic and macroscopic polarization within a combined quantum mechanics and molecular mechanics modelL Jensen, Marcel Swart, Piet Th van Duijnen
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|March 16, 2018
Nucleophilic Substitution (S<sub>N</sub> 2): Dependence on Nucleophile, Leaving Group, Central Atom, Substituents, and SolventTrevor A Hamlin, Marcel Swart, F Matthias Bickelhaupt
Physical Chemistry Chemical Physics : PCCP|May 12, 2017
The influence of substituents and the environment on the NMR shielding constants of supramolecular complexes based on A-T and A-U base pairsAbril C Castro, Marcel Swart, Célia Fonseca Guerra
Journal of Molecular Modeling|December 24, 2003
Active site modeling in copper azurin molecular dynamics simulationsBruno Rizzuti, Marcel Swart, Luigi Sportelli, et al.
Journal of the American Chemical Society|December 23, 2004
Hydrogen bonds of RNA are stronger than those of DNA, but NMR monitors only presence of methyl substituent in uracil/thymineMarcel Swart, Célia Fonseca Guerra, F Matthias Bickelhaupt
Physical Chemistry Chemical Physics : PCCP|December 18, 2008
Stepwise walden inversion in nucleophilic substitution at phosphorusMarc A van Bochove, Marcel Swart, F Matthias Bickelhaupt
Physical Chemistry Chemical Physics : PCCP|December 14, 2012
Computational study of the spin-state energies and UV-Vis spectra of bis(1,4,7-triazacyclononane) complexes of some first-row transition metal cationsMatija Zlatar, Maja Gruden-Pavlović, Mireia Güell, et al.
Pageof 13

Showing results (31-40 of 123) with videos related to

Sort By:
Pageof 13
The Journal of Physical Chemistry. A|August 8, 2025
Computational Exploration of Xe Dimers Inside Fullerene CagesAthul Santha Bhaskaran, Sílvia Osuna, Marcel Swart
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces|January 15, 2025
Density Functional Theory Investigation of 2D Phase Separated Graphene/Hexagonal Boron Nitride Monolayers; Band Gap, Band Edge Positions, and Photo ActivityEoin M O'Sullivan, Nicole Grobert, Marcel Swart
Journal of Chemical Information and Modeling|January 19, 2019
The Irony of Manganocene: An Interplay between the Jahn-Teller Effect and Close-Lying Electronic and Spin StatesStepan Stepanović, Matija Zlatar, Marcel Swart, et al.
The Journal of Chemical Physics|March 3, 2005
Microscopic and macroscopic polarization within a combined quantum mechanics and molecular mechanics modelL Jensen, Marcel Swart, Piet Th van Duijnen
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|March 16, 2018
Nucleophilic Substitution (S<sub>N</sub> 2): Dependence on Nucleophile, Leaving Group, Central Atom, Substituents, and SolventTrevor A Hamlin, Marcel Swart, F Matthias Bickelhaupt
Physical Chemistry Chemical Physics : PCCP|May 12, 2017
The influence of substituents and the environment on the NMR shielding constants of supramolecular complexes based on A-T and A-U base pairsAbril C Castro, Marcel Swart, Célia Fonseca Guerra
Journal of Molecular Modeling|December 24, 2003
Active site modeling in copper azurin molecular dynamics simulationsBruno Rizzuti, Marcel Swart, Luigi Sportelli, et al.
Journal of the American Chemical Society|December 23, 2004
Hydrogen bonds of RNA are stronger than those of DNA, but NMR monitors only presence of methyl substituent in uracil/thymineMarcel Swart, Célia Fonseca Guerra, F Matthias Bickelhaupt
Physical Chemistry Chemical Physics : PCCP|December 18, 2008
Stepwise walden inversion in nucleophilic substitution at phosphorusMarc A van Bochove, Marcel Swart, F Matthias Bickelhaupt
Physical Chemistry Chemical Physics : PCCP|December 14, 2012
Computational study of the spin-state energies and UV-Vis spectra of bis(1,4,7-triazacyclononane) complexes of some first-row transition metal cationsMatija Zlatar, Maja Gruden-Pavlović, Mireia Güell, et al.
Pageof 13