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

Christopher J. Cramer

Showing results (41-50 of 271) with videos related to

Pageof 28
Sort By:
Journal of Chemical Theory and Computation|November 20, 2015
Uniform Treatment of Solute-Solvent Dispersion in the Ground and Excited Electronic States of the Solute Based on a Solvation Model with State-Specific PolarizabilityAleksandr V Marenich, Christopher J Cramer, Donald G Truhlar
Journal of Chemical Theory and Computation|December 4, 2015
Hybrid Density Functional Methods Empirically Optimized for the Computation of (13)C and (1)H Chemical Shifts in Chloroform SolutionKeith W Wiitala, Thomas R Hoye, Christopher J Cramer
The Journal of Physical Chemistry. B|April 16, 2009
Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensionsAleksandr V Marenich, Christopher J Cramer, Donald G Truhlar
Magnetic Resonance in Chemistry : MRC|August 31, 2007
Comparison of various density functional methods for distinguishing stereoisomers based on computed (1)H or (13)C NMR chemical shifts using diastereomeric penam beta-lactams as a test setKeith W Wiitala, Christopher J Cramer, Thomas R Hoye
The Journal of Physical Chemistry. A|July 13, 2006
Quantum chemical characterization of the structures, thermochemical properties, and singlet-triplet splittings of didehydroquinolinium and didehydroisoquinolinium ionsJohn J Nash, Hilkka I Kenttämaa, Christopher J Cramer
Journal of Chemical Theory and Computation|November 19, 2015
Comparison of Real-Time and Linear-Response Time-Dependent Density Functional Theories for Molecular Chromophores Ranging from Sparse to High Densities of StatesSamat Tussupbayev, Niranjan Govind, Kenneth Lopata, et al.
The Journal of Physical Chemistry. B|March 17, 2006
Predicting aqueous free energies of solvation as functions of temperatureAdam C Chamberlin, Christopher J Cramer, Donald G Truhlar
The Journal of Physical Chemistry. B|August 28, 2014
Electronic absorption spectra and solvatochromic shifts by the vertical excitation model: solvated clusters and molecular dynamics samplingAleksandr V Marenich, Christopher J Cramer, Donald G Truhlar
The Journal of Physical Chemistry. A|May 28, 2008
Quantum chemical characterization of the structures, thermochemical properties, and doublet-quartet splittings of tridehydropyridinium cationsJohn J Nash, Hilkka I Kenttämaa, Christopher J Cramer
Journal of Computational Chemistry|June 27, 2003
Parameterization of charge model 3 for AM1, PM3, BLYP, and B3LYPJason D Thompson, Christopher J Cramer, Donald G Truhlar
Pageof 28

Showing results (41-50 of 271) with videos related to

Sort By:
Pageof 28
Journal of Chemical Theory and Computation|November 20, 2015
Uniform Treatment of Solute-Solvent Dispersion in the Ground and Excited Electronic States of the Solute Based on a Solvation Model with State-Specific PolarizabilityAleksandr V Marenich, Christopher J Cramer, Donald G Truhlar
Journal of Chemical Theory and Computation|December 4, 2015
Hybrid Density Functional Methods Empirically Optimized for the Computation of (13)C and (1)H Chemical Shifts in Chloroform SolutionKeith W Wiitala, Thomas R Hoye, Christopher J Cramer
The Journal of Physical Chemistry. B|April 16, 2009
Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensionsAleksandr V Marenich, Christopher J Cramer, Donald G Truhlar
Magnetic Resonance in Chemistry : MRC|August 31, 2007
Comparison of various density functional methods for distinguishing stereoisomers based on computed (1)H or (13)C NMR chemical shifts using diastereomeric penam beta-lactams as a test setKeith W Wiitala, Christopher J Cramer, Thomas R Hoye
The Journal of Physical Chemistry. A|July 13, 2006
Quantum chemical characterization of the structures, thermochemical properties, and singlet-triplet splittings of didehydroquinolinium and didehydroisoquinolinium ionsJohn J Nash, Hilkka I Kenttämaa, Christopher J Cramer
Journal of Chemical Theory and Computation|November 19, 2015
Comparison of Real-Time and Linear-Response Time-Dependent Density Functional Theories for Molecular Chromophores Ranging from Sparse to High Densities of StatesSamat Tussupbayev, Niranjan Govind, Kenneth Lopata, et al.
The Journal of Physical Chemistry. B|March 17, 2006
Predicting aqueous free energies of solvation as functions of temperatureAdam C Chamberlin, Christopher J Cramer, Donald G Truhlar
The Journal of Physical Chemistry. B|August 28, 2014
Electronic absorption spectra and solvatochromic shifts by the vertical excitation model: solvated clusters and molecular dynamics samplingAleksandr V Marenich, Christopher J Cramer, Donald G Truhlar
The Journal of Physical Chemistry. A|May 28, 2008
Quantum chemical characterization of the structures, thermochemical properties, and doublet-quartet splittings of tridehydropyridinium cationsJohn J Nash, Hilkka I Kenttämaa, Christopher J Cramer
Journal of Computational Chemistry|June 27, 2003
Parameterization of charge model 3 for AM1, PM3, BLYP, and B3LYPJason D Thompson, Christopher J Cramer, Donald G Truhlar
Pageof 28