Search research articles
Contact Us
Filters
Showing results (1-10 of 9) with videos related to
Page
of 1
Sort By:
Journal of Chemical Theory and Computation
|
August 31, 2023
Efficient Protocol for Computing MCD Spectra in a Broad Frequency Range Combining Resonant and Damped CC2 Quadratic Response Theory
Josefine H Andersen, Sonia Coriani, Christof Hättig
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.
Journal of Chemical Theory and Computation
|
February 21, 2022
Probing Molecular Chirality of Ground and Electronically Excited States in the UV-vis and X-ray Regimes: An EOM-CCSD Study
Josefine H Andersen, Kaushik D Nanda, Anna I Krylov, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 11, 2022
Linear response properties of solvated systems: a computational study
Linda Goletto, Sara Gómez, Josefine H Andersen, et al.
Journal of Chemical Theory and Computation
|
September 9, 2022
Cherry-Picking Resolvents: Recovering the Valence Contribution in X-ray Two-Photon Absorption within the Core-Valence-Separated Equation-of-Motion Coupled-Cluster Response Theory
Josefine H Andersen, Kaushik D Nanda, Anna I Krylov, et al.
The Journal of Physical Chemistry. A
|
January 6, 2026
VeloxChem: Large-Scale DFT Calculations of Geometric Derivatives up to Second Order for Simulation of IR Spectra
Josefine H Andersen, Iulia Emilia Brumboiu, Manuel Hodecker, et al.
The Journal of Chemical Physics
|
May 17, 2020
e<sup>T</sup> 1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods
Sarai D Folkestad, Eirik F Kjønstad, Rolf H Myhre, et al.
Journal of Chemical Theory and Computation
|
June 29, 2023
TURBOMOLE: Today and Tomorrow
Yannick J Franzke, Christof Holzer, Josefine H Andersen, et al.
The Journal of Chemical Physics
|
September 2, 2021
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
Evgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
August 31, 2023
Efficient Protocol for Computing MCD Spectra in a Broad Frequency Range Combining Resonant and Damped CC2 Quadratic Response Theory
Josefine H Andersen, Sonia Coriani, Christof Hättig
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.
Journal of Chemical Theory and Computation
|
February 21, 2022
Probing Molecular Chirality of Ground and Electronically Excited States in the UV-vis and X-ray Regimes: An EOM-CCSD Study
Josefine H Andersen, Kaushik D Nanda, Anna I Krylov, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 11, 2022
Linear response properties of solvated systems: a computational study
Linda Goletto, Sara Gómez, Josefine H Andersen, et al.
Journal of Chemical Theory and Computation
|
September 9, 2022
Cherry-Picking Resolvents: Recovering the Valence Contribution in X-ray Two-Photon Absorption within the Core-Valence-Separated Equation-of-Motion Coupled-Cluster Response Theory
Josefine H Andersen, Kaushik D Nanda, Anna I Krylov, et al.
The Journal of Physical Chemistry. A
|
January 6, 2026
VeloxChem: Large-Scale DFT Calculations of Geometric Derivatives up to Second Order for Simulation of IR Spectra
Josefine H Andersen, Iulia Emilia Brumboiu, Manuel Hodecker, et al.
The Journal of Chemical Physics
|
May 17, 2020
e<sup>T</sup> 1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods
Sarai D Folkestad, Eirik F Kjønstad, Rolf H Myhre, et al.
Journal of Chemical Theory and Computation
|
June 29, 2023
TURBOMOLE: Today and Tomorrow
Yannick J Franzke, Christof Holzer, Josefine H Andersen, et al.
The Journal of Chemical Physics
|
September 2, 2021
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
Evgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng, et al.
Page
of 1