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

Roberto Car

Showing results (51-60 of 122) with videos related to

Pageof 13
Sort By:
Inorganic Chemistry|May 9, 2006
Electronic structure and reactivity of isomeric oxo-Mn(V) porphyrins: effects of spin-state crossing and pKa modulationFilippo De Angelis, Ning Jin, Roberto Car, et al.
The Journal of Physical Chemistry. B|July 31, 2023
Thermal Conductivity of Water at Extreme ConditionsCunzhi Zhang, Marcello Puligheddu, Linfeng Zhang, et al.
Journal of the American Chemical Society|June 26, 2003
Chemistry between magnesium and multiple molecules in tris(8-hydroxyquinoline) aluminum filmsSimone Meloni, Amedeo Palma, Jeffrey Schwartz, et al.
The Journal of Physical Chemistry. B|July 21, 2006
A theoretical study of biotin chemisorption on Si-SiC(001) surfacesYosuke Kanai, Giancarlo Cicero, Annabella Selloni, et al.
Inorganic Chemistry|January 30, 2007
Theoretical studies of [FeFe]-hydrogenase: infrared fingerprints of the dithiol-bridging ligand in the active siteSilviu Zilberman, Edward I Stiefel, Morrel H Cohen, et al.
The Journal of Chemical Physics|August 6, 2022
Phase diagram of the TIP4P/Ice water model by enhanced sampling simulationsSigbjørn L Bore, Pablo M Piaggi, Roberto Car, et al.
The Journal of Physical Chemistry. B|March 31, 2006
Theoretical studies of [FeFe]-hydrogenase: structure and infrared spectra of synthetic modelsSilviu Zilberman, Edward I Stiefel, Morrel H Cohen, et al.
Inorganic Chemistry|July 18, 2006
Resolving the CO/CN ligand arrangement in CO-inactivated [FeFe] hydrogenase by first principles density functional theory calculationsSilviu Zilberman, Edward I Stiefel, Morrel H Cohen, et al.
The Journal of Chemical Physics|July 25, 2018
DeePCG: Constructing coarse-grained models via deep neural networksLinfeng Zhang, Jiequn Han, Han Wang, et al.
Physical Review Letters|April 26, 2018
Deep Potential Molecular Dynamics: A Scalable Model with the Accuracy of Quantum MechanicsLinfeng Zhang, Jiequn Han, Han Wang, et al.
Pageof 13

Showing results (51-60 of 122) with videos related to

Sort By:
Pageof 13
Inorganic Chemistry|May 9, 2006
Electronic structure and reactivity of isomeric oxo-Mn(V) porphyrins: effects of spin-state crossing and pKa modulationFilippo De Angelis, Ning Jin, Roberto Car, et al.
The Journal of Physical Chemistry. B|July 31, 2023
Thermal Conductivity of Water at Extreme ConditionsCunzhi Zhang, Marcello Puligheddu, Linfeng Zhang, et al.
Journal of the American Chemical Society|June 26, 2003
Chemistry between magnesium and multiple molecules in tris(8-hydroxyquinoline) aluminum filmsSimone Meloni, Amedeo Palma, Jeffrey Schwartz, et al.
The Journal of Physical Chemistry. B|July 21, 2006
A theoretical study of biotin chemisorption on Si-SiC(001) surfacesYosuke Kanai, Giancarlo Cicero, Annabella Selloni, et al.
Inorganic Chemistry|January 30, 2007
Theoretical studies of [FeFe]-hydrogenase: infrared fingerprints of the dithiol-bridging ligand in the active siteSilviu Zilberman, Edward I Stiefel, Morrel H Cohen, et al.
The Journal of Chemical Physics|August 6, 2022
Phase diagram of the TIP4P/Ice water model by enhanced sampling simulationsSigbjørn L Bore, Pablo M Piaggi, Roberto Car, et al.
The Journal of Physical Chemistry. B|March 31, 2006
Theoretical studies of [FeFe]-hydrogenase: structure and infrared spectra of synthetic modelsSilviu Zilberman, Edward I Stiefel, Morrel H Cohen, et al.
Inorganic Chemistry|July 18, 2006
Resolving the CO/CN ligand arrangement in CO-inactivated [FeFe] hydrogenase by first principles density functional theory calculationsSilviu Zilberman, Edward I Stiefel, Morrel H Cohen, et al.
The Journal of Chemical Physics|July 25, 2018
DeePCG: Constructing coarse-grained models via deep neural networksLinfeng Zhang, Jiequn Han, Han Wang, et al.
Physical Review Letters|April 26, 2018
Deep Potential Molecular Dynamics: A Scalable Model with the Accuracy of Quantum MechanicsLinfeng Zhang, Jiequn Han, Han Wang, et al.
Pageof 13