Showing results (81-90 of 163) with videos related to

Sort By:
Pageof 17
The Journal of Chemical Physics|December 28, 2006
Combined density functional/polarizable continuum model study of magnetochiral birefringence: can theory and experiment be brought to agreement?Branislav Jansík, Antonio Rizzo, Luca Frediani, et al.
The Journal of Physical Chemistry Letters|July 17, 2018
Unraveling the Microscopic Origin of Triplet Lasing from Organic SolidsLopa Paul, Ambar Banerjee, Ankan Paul, et al.
The Journal of Chemical Physics|October 10, 2014
Analytic calculations of hyper-Raman spectra from density functional theory hyperpolarizability gradientsMagnus Ringholm, Radovan Bast, Luca Oggioni, et al.
The Journal of Physical Chemistry. A|February 1, 2023
Exact Two-Component TDDFT with Simple Two-Electron Picture-Change Corrections: X-ray Absorption Spectra Near L- and M-Edges of Four-Component Quality at Two-Component CostLukas Konecny, Stanislav Komorovsky, Jan Vicha, et al.
The Journal of Chemical Physics|December 4, 2018
Resolution-of-identity accelerated relativistic two- and four-component electron dynamics approach to chiroptical spectroscopiesLukas Konecny, Marius Kadek, Stanislav Komorovsky, et al.
The Journal of Physical Chemistry. A|February 24, 2006
Solvent effects on Raman optical activity spectra calculated using the polarizable continuum modelMagdalena Pecul, Ewa Lamparska, Chiara Cappelli, et al.
The Journal of Chemical Physics|December 15, 2005
Gauge-origin-independent magnetizabilities of solvated molecules using the polarizable continuum modelLara Ferrighi, Domenico Marchesan, Kenneth Ruud, et al.
The Journal of Chemical Physics|March 10, 2015
Communication: The absolute shielding scales of oxygen and sulfur revisitedStanislav Komorovsky, Michal Repisky, Elena Malkin, et al.
The Journal of Physical Chemistry. A|August 5, 2022
A Computational Protocol for Vibrational Circular Dichroism Spectra of Cyclic OligopeptidesKarolina Di Remigio Eikås, Maarten T P Beerepoot, Kenneth Ruud
The Journal of Physical Chemistry Letters|July 19, 2024
Reverse Intersystem Crossing Dynamics in Vibronically Modulated Inverted Singlet-Triplet Gap System: A Wigner Phase Space StudyPijush Karak, Pradipta Manna, Ambar Banerjee, et al.
Pageof 17