Search research articles
Contact Us
Filters
Showing results (41-50 of 156) with videos related to
Page
of 16
Sort By:
Journal of Chemical Theory and Computation
|
March 17, 2018
One-Photon Absorption Properties from a Hybrid Polarizable Density Embedding/Complex Polarization Propagator Approach for Polarizable Solutions
Dalibor Hršak, Morten Steen Nørby, Sonia Coriani, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 3, 2023
Insights into localization, energy ordering, and substituent effect in excited states of azobenzenes from coupled cluster calculations of nuclear spin-induced circular dichroism
Josefine H Andersen, Christof Hättig, Sonia Coriani, et al.
Molecules (Basel, Switzerland)
|
February 25, 2022
Photoionization Observables from Multi-Reference Dyson Orbitals Coupled to B-Spline DFT and TD-DFT Continuum
Bruno Nunes Cabral Tenorio, Aurora Ponzi, Sonia Coriani, et al.
The Journal of Chemical Physics
|
June 2, 2014
Dynamical photoionization observables of the CS molecule: the role of electron correlation
Aurora Ponzi, Celestino Angeli, Renzo Cimiraglia, et al.
The Journal of Chemical Physics
|
December 15, 2005
Gauge-origin-independent magnetizabilities of solvated molecules using the polarizable continuum model
Lara Ferrighi, Domenico Marchesan, Kenneth Ruud, et al.
The Journal of Chemical Physics
|
August 14, 2008
Hartree-Fock and Kohn-Sham time-dependent response theory in a second-quantization atomic-orbital formalism suitable for linear scaling
Thomas Kjaergaard, Poul Jørgensen, Jeppe Olsen, et al.
The Journal of Physical Chemistry Letters
|
September 8, 2020
Equation-of-Motion Coupled-Cluster Theory to Model L-Edge X-ray Absorption and Photoelectron Spectra
Marta L Vidal, Pavel Pokhilko, Anna I Krylov, et al.
The Journal of Chemical Physics
|
July 11, 2023
Description of the KLL Auger-Meitner decay spectra of argon following primary and satellite core-ionized states
Jacob Pedersen, Piero Decleva, Sonia Coriani, et al.
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. A
|
May 24, 2007
Gauge-origin-independent coupled cluster singles and doubles calculation of magnetic circular dichroism of azabenzenes and phosphabenzene using London orbitals
Thomas Kjaergaard, Branislav Jansík, Poul Jørgensen, et al.
Page
of 16
Search research articles
Search
Showing results (41-50 of 156) with videos related to
Sort By:
Page
of 16
Journal of Chemical Theory and Computation
|
March 17, 2018
One-Photon Absorption Properties from a Hybrid Polarizable Density Embedding/Complex Polarization Propagator Approach for Polarizable Solutions
Dalibor Hršak, Morten Steen Nørby, Sonia Coriani, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 3, 2023
Insights into localization, energy ordering, and substituent effect in excited states of azobenzenes from coupled cluster calculations of nuclear spin-induced circular dichroism
Josefine H Andersen, Christof Hättig, Sonia Coriani, et al.
Molecules (Basel, Switzerland)
|
February 25, 2022
Photoionization Observables from Multi-Reference Dyson Orbitals Coupled to B-Spline DFT and TD-DFT Continuum
Bruno Nunes Cabral Tenorio, Aurora Ponzi, Sonia Coriani, et al.
The Journal of Chemical Physics
|
June 2, 2014
Dynamical photoionization observables of the CS molecule: the role of electron correlation
Aurora Ponzi, Celestino Angeli, Renzo Cimiraglia, et al.
The Journal of Chemical Physics
|
December 15, 2005
Gauge-origin-independent magnetizabilities of solvated molecules using the polarizable continuum model
Lara Ferrighi, Domenico Marchesan, Kenneth Ruud, et al.
The Journal of Chemical Physics
|
August 14, 2008
Hartree-Fock and Kohn-Sham time-dependent response theory in a second-quantization atomic-orbital formalism suitable for linear scaling
Thomas Kjaergaard, Poul Jørgensen, Jeppe Olsen, et al.
The Journal of Physical Chemistry Letters
|
September 8, 2020
Equation-of-Motion Coupled-Cluster Theory to Model L-Edge X-ray Absorption and Photoelectron Spectra
Marta L Vidal, Pavel Pokhilko, Anna I Krylov, et al.
The Journal of Chemical Physics
|
July 11, 2023
Description of the KLL Auger-Meitner decay spectra of argon following primary and satellite core-ionized states
Jacob Pedersen, Piero Decleva, Sonia Coriani, et al.
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. A
|
May 24, 2007
Gauge-origin-independent coupled cluster singles and doubles calculation of magnetic circular dichroism of azabenzenes and phosphabenzene using London orbitals
Thomas Kjaergaard, Branislav Jansík, Poul Jørgensen, et al.
Page
of 16