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

Steven Vancoillie

Showing results (1-10 of 20) with videos related to

Pageof 2
Sort By:
The Journal of Chemical Physics|October 4, 2006
Relative energy of the high-(5T2g) and low-(1A1g) spin states of [Fe(H2O)6]2+, [Fe(NH3)6]2+, and [Fe(bpy)3]2+: CASPT2 versus density functional theoryKristine Pierloot, Steven Vancoillie
The Journal of Chemical Physics|January 22, 2008
Relative energy of the high-(5T2g) and low-(1A1g) spin states of the ferrous complexes [Fe(L)(NHS4)]: CASPT2 versus density functional theoryKristine Pierloot, Steven Vancoillie
The Journal of Physical Chemistry. A|April 5, 2008
Multiconfigurational g tensor calculations as a probe for the covalency of the copper-ligand bonds in copper(II) complexes: [CuCl4]2-, [Cu(NH3)4]2+, and plastocyaninSteven Vancoillie, Kristine Pierloot
Inorganic Chemistry|October 23, 2010
Copper corroles: the question of noninnocenceKristine Pierloot, Hailiang Zhao, Steven Vancoillie
Journal of Chemical Theory and Computation|March 2, 2016
Potential Energy Surface of the Chromium Dimer Re-re-revisited with Multiconfigurational Perturbation TheorySteven Vancoillie, Per Åke Malmqvist, Valera Veryazov
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|July 25, 2007
Calculation of EPR g tensors for transition-metal complexes based on multiconfigurational perturbation theory (CASPT2)Steven Vancoillie, Per-Ake Malmqvist, Kristine Pierloot
Journal of Chemical Theory and Computation|November 24, 2015
A Multiconfigurational Perturbation Theory and Density Functional Theory Study on the Heterolytic Dissociation Enthalpy of First-Row MetallocenesQuan Manh Phung, Steven Vancoillie, Kristine Pierloot
Journal of Chemical Theory and Computation|November 21, 2015
Theoretical Study of the Dissociation Energy of First-Row Metallocenium IonsQuan Manh Phung, Steven Vancoillie, Kristine Pierloot
Inorganic Chemistry|September 3, 2013
Electronic spectra of N-heterocyclic pentacyanoferrate(II) complexes in different solvents, studied by multiconfigurational perturbation theoryAndré Luiz Barboza Formiga, Steven Vancoillie, Kristine Pierloot
Journal of Chemical Theory and Computation|December 1, 2015
Performance of CASPT2 and DFT for Relative Spin-State Energetics of Heme ModelsSteven Vancoillie, Hailiang Zhao, Mariusz Radoń, et al.
Pageof 2

Showing results (1-10 of 20) with videos related to

Sort By:
Pageof 2
The Journal of Chemical Physics|October 4, 2006
Relative energy of the high-(5T2g) and low-(1A1g) spin states of [Fe(H2O)6]2+, [Fe(NH3)6]2+, and [Fe(bpy)3]2+: CASPT2 versus density functional theoryKristine Pierloot, Steven Vancoillie
The Journal of Chemical Physics|January 22, 2008
Relative energy of the high-(5T2g) and low-(1A1g) spin states of the ferrous complexes [Fe(L)(NHS4)]: CASPT2 versus density functional theoryKristine Pierloot, Steven Vancoillie
The Journal of Physical Chemistry. A|April 5, 2008
Multiconfigurational g tensor calculations as a probe for the covalency of the copper-ligand bonds in copper(II) complexes: [CuCl4]2-, [Cu(NH3)4]2+, and plastocyaninSteven Vancoillie, Kristine Pierloot
Inorganic Chemistry|October 23, 2010
Copper corroles: the question of noninnocenceKristine Pierloot, Hailiang Zhao, Steven Vancoillie
Journal of Chemical Theory and Computation|March 2, 2016
Potential Energy Surface of the Chromium Dimer Re-re-revisited with Multiconfigurational Perturbation TheorySteven Vancoillie, Per Åke Malmqvist, Valera Veryazov
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|July 25, 2007
Calculation of EPR g tensors for transition-metal complexes based on multiconfigurational perturbation theory (CASPT2)Steven Vancoillie, Per-Ake Malmqvist, Kristine Pierloot
Journal of Chemical Theory and Computation|November 24, 2015
A Multiconfigurational Perturbation Theory and Density Functional Theory Study on the Heterolytic Dissociation Enthalpy of First-Row MetallocenesQuan Manh Phung, Steven Vancoillie, Kristine Pierloot
Journal of Chemical Theory and Computation|November 21, 2015
Theoretical Study of the Dissociation Energy of First-Row Metallocenium IonsQuan Manh Phung, Steven Vancoillie, Kristine Pierloot
Inorganic Chemistry|September 3, 2013
Electronic spectra of N-heterocyclic pentacyanoferrate(II) complexes in different solvents, studied by multiconfigurational perturbation theoryAndré Luiz Barboza Formiga, Steven Vancoillie, Kristine Pierloot
Journal of Chemical Theory and Computation|December 1, 2015
Performance of CASPT2 and DFT for Relative Spin-State Energetics of Heme ModelsSteven Vancoillie, Hailiang Zhao, Mariusz Radoń, et al.
Pageof 2