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Sandra Luber

Showing results (1-10 of 103) with videos related to

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The Journal of Chemical Physics|December 22, 2014
Local electric dipole moments for periodic systems via density functional theory embeddingSandra Luber
Journal of Chemical Theory and Computation|February 21, 2017
Raman Optical Activity Spectra from Density Functional Perturbation Theory and Density-Functional-Theory-Based Molecular DynamicsSandra Luber
Physical Chemistry Chemical Physics : PCCP|November 10, 2018
Localized molecular orbitals for calculation and analysis of vibrational Raman optical activitySandra Luber
Chimia|August 31, 2018
Advancing Computational Approaches for Study and Design in CatalysisSandra Luber
The Journal of Physical Chemistry. A|March 27, 2013
Solvent effects in calculated vibrational Raman optical activity spectra of α-helicesSandra Luber
The Journal of Physical Chemistry Letters|December 16, 2016
Sum Frequency Generation of Acetonitrile on a Rutile (110) Surface from Density Functional Theory-Based Molecular DynamicsSandra Luber
Chimia|May 24, 2018
Dynamic <i>ab initio</i> Methods for Vibrational SpectroscopySandra Luber
Journal of Chemical Theory and Computation|February 8, 2025
Development of Real-Time TDDFT Program with <b>k</b>-Point Sampling and DFT + <i>U</i> in a Gaussian and Plane Waves FrameworkKota Hanasaki, Sandra Luber
The Journal of Chemical Physics|December 23, 2019
Vibrational (resonance) Raman optical activity with real time time dependent density functional theoryJohann Mattiat, Sandra Luber
Journal of Chemical Theory and Computation|April 25, 2024
Chiral Spectroscopy of Bulk Systems with Propagated Localized OrbitalsLukas Schreder, Sandra Luber
Pageof 11

Showing results (1-10 of 103) with videos related to

Sort By:
Pageof 11
The Journal of Chemical Physics|December 22, 2014
Local electric dipole moments for periodic systems via density functional theory embeddingSandra Luber
Journal of Chemical Theory and Computation|February 21, 2017
Raman Optical Activity Spectra from Density Functional Perturbation Theory and Density-Functional-Theory-Based Molecular DynamicsSandra Luber
Physical Chemistry Chemical Physics : PCCP|November 10, 2018
Localized molecular orbitals for calculation and analysis of vibrational Raman optical activitySandra Luber
Chimia|August 31, 2018
Advancing Computational Approaches for Study and Design in CatalysisSandra Luber
The Journal of Physical Chemistry. A|March 27, 2013
Solvent effects in calculated vibrational Raman optical activity spectra of α-helicesSandra Luber
The Journal of Physical Chemistry Letters|December 16, 2016
Sum Frequency Generation of Acetonitrile on a Rutile (110) Surface from Density Functional Theory-Based Molecular DynamicsSandra Luber
Chimia|May 24, 2018
Dynamic <i>ab initio</i> Methods for Vibrational SpectroscopySandra Luber
Journal of Chemical Theory and Computation|February 8, 2025
Development of Real-Time TDDFT Program with <b>k</b>-Point Sampling and DFT + <i>U</i> in a Gaussian and Plane Waves FrameworkKota Hanasaki, Sandra Luber
The Journal of Chemical Physics|December 23, 2019
Vibrational (resonance) Raman optical activity with real time time dependent density functional theoryJohann Mattiat, Sandra Luber
Journal of Chemical Theory and Computation|April 25, 2024
Chiral Spectroscopy of Bulk Systems with Propagated Localized OrbitalsLukas Schreder, Sandra Luber
Pageof 11