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

Daniel Sebastiani

Showing results (1-10 of 105) with videos related to

Pageof 11
Sort By:
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|December 7, 2005
Current densities and nucleus-independent chemical shift maps from reciprocal-space density functional perturbation theory calculationsDaniel Sebastiani
The Journal of Chemical Physics|October 12, 2018
Simulating structure and dynamics in small droplets of 1-ethyl-3-methylimidazolium acetateMartin Brehm, Daniel Sebastiani
Physical Chemistry Chemical Physics : PCCP|August 13, 2011
Approaches to the solvation of the molecular probe N-methyl-6-quinolone in its excited stateChristoph Allolio, Daniel Sebastiani
Journal of Computational Chemistry|January 3, 2013
Spectroscopic fingerprints of toroidal nuclear quantum delocalization via ab initio path integral simulationsOle Schütt, Daniel Sebastiani
Journal of Computational Chemistry|November 13, 2015
Moment expansion of the linear density-density response functionArne Scherrer, Daniel Sebastiani
Physical Chemistry Chemical Physics : PCCP|March 11, 2020
Effect of anion reorientation on proton mobility in the solid acids family CsH<sub>y</sub>XO<sub>4</sub> (X = S, P, Se, y = 1, 2) from ab initio molecular dynamics simulationsChristian Dreßler, Daniel Sebastiani
Journal of Chemical Theory and Computation|November 27, 2015
Optimization of Capping Potentials for Spectroscopic Parameters in Hybrid Quantum Mechanical/Mechanical Modeling CalculationsSittipong Komin, Daniel Sebastiani
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|December 31, 2002
Ab-initio study of NMR chemical shifts of water under normal and supercritical conditionsDaniel Sebastiani, Michele Parrinello
The Journal of Chemical Physics|December 18, 2016
Methyl rotor quantum states and the effect of chemical environment in organic crystals: γ-picoline and tolueneSomayeh Khazaei, Daniel Sebastiani
Molecules (Basel, Switzerland)|December 1, 2020
Carbon Atoms Speaking Out: How the Geometric Sensitivity of <sup>13</sup>C Chemical Shifts Leads to Understanding the Colour Tuning of Phycocyanobilin in Cph1 and AnPixJSascha Jähnigen, Daniel Sebastiani
Pageof 11

Showing results (1-10 of 105) with videos related to

Sort By:
Pageof 11
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|December 7, 2005
Current densities and nucleus-independent chemical shift maps from reciprocal-space density functional perturbation theory calculationsDaniel Sebastiani
The Journal of Chemical Physics|October 12, 2018
Simulating structure and dynamics in small droplets of 1-ethyl-3-methylimidazolium acetateMartin Brehm, Daniel Sebastiani
Physical Chemistry Chemical Physics : PCCP|August 13, 2011
Approaches to the solvation of the molecular probe N-methyl-6-quinolone in its excited stateChristoph Allolio, Daniel Sebastiani
Journal of Computational Chemistry|January 3, 2013
Spectroscopic fingerprints of toroidal nuclear quantum delocalization via ab initio path integral simulationsOle Schütt, Daniel Sebastiani
Journal of Computational Chemistry|November 13, 2015
Moment expansion of the linear density-density response functionArne Scherrer, Daniel Sebastiani
Physical Chemistry Chemical Physics : PCCP|March 11, 2020
Effect of anion reorientation on proton mobility in the solid acids family CsH<sub>y</sub>XO<sub>4</sub> (X = S, P, Se, y = 1, 2) from ab initio molecular dynamics simulationsChristian Dreßler, Daniel Sebastiani
Journal of Chemical Theory and Computation|November 27, 2015
Optimization of Capping Potentials for Spectroscopic Parameters in Hybrid Quantum Mechanical/Mechanical Modeling CalculationsSittipong Komin, Daniel Sebastiani
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|December 31, 2002
Ab-initio study of NMR chemical shifts of water under normal and supercritical conditionsDaniel Sebastiani, Michele Parrinello
The Journal of Chemical Physics|December 18, 2016
Methyl rotor quantum states and the effect of chemical environment in organic crystals: γ-picoline and tolueneSomayeh Khazaei, Daniel Sebastiani
Molecules (Basel, Switzerland)|December 1, 2020
Carbon Atoms Speaking Out: How the Geometric Sensitivity of <sup>13</sup>C Chemical Shifts Leads to Understanding the Colour Tuning of Phycocyanobilin in Cph1 and AnPixJSascha Jähnigen, Daniel Sebastiani
Pageof 11