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Physical Chemistry Chemical Physics : PCCP
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January 29, 2019
Density-based descriptors and exciton analyses for visualizing and understanding the electronic structure of excited states
Stefanie A Mewes, Andreas Dreuw
The Journal of Chemical Physics
|
November 9, 2015
Communication: Exciton analysis in time-dependent density functional theory: How functionals shape excited-state characters
Stefanie A Mewes, Felix Plasser, Andreas Dreuw
The Journal of Physical Chemistry Letters
|
February 24, 2017
Universal Exciton Size in Organic Polymers is Determined by Nonlocal Orbital Exchange in Time-Dependent Density Functional Theory
Stefanie A Mewes, Felix Plasser, Andreas Dreuw
Journal of Chemical Theory and Computation
|
October 4, 2017
Detailed Wave Function Analysis for Multireference Methods: Implementation in the Molcas Program Package and Applications to Tetracene
Felix Plasser, Stefanie A Mewes, Andreas Dreuw, et al.
Journal of Chemical Theory and Computation
|
January 12, 2018
Benchmarking Excited-State Calculations Using Exciton Properties
Stefanie A Mewes, Felix Plasser, Anna Krylov, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 25, 2015
Excitons in poly(para phenylene vinylene): a quantum-chemical perspective based on high-level ab initio calculations
Stefanie A Mewes, Jan-Michael Mewes, Andreas Dreuw, et al.
The Journal of Physical Chemistry Letters
|
October 2, 2019
Electron-Hole Correlation as Unambiguous and Universal Classification for the Nature of Low-Lying ππ* States of Nitrogen Heterocycles
Marvin Hoffmann, Stefanie A Mewes, Sonja Wieland, et al.
Journal of Chemical Theory and Computation
|
September 12, 2019
OpenMolcas: From Source Code to Insight
Ignacio Fdez Galván, Morgane Vacher, Ali Alavi, 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.
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of 1
Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
Physical Chemistry Chemical Physics : PCCP
|
January 29, 2019
Density-based descriptors and exciton analyses for visualizing and understanding the electronic structure of excited states
Stefanie A Mewes, Andreas Dreuw
The Journal of Chemical Physics
|
November 9, 2015
Communication: Exciton analysis in time-dependent density functional theory: How functionals shape excited-state characters
Stefanie A Mewes, Felix Plasser, Andreas Dreuw
The Journal of Physical Chemistry Letters
|
February 24, 2017
Universal Exciton Size in Organic Polymers is Determined by Nonlocal Orbital Exchange in Time-Dependent Density Functional Theory
Stefanie A Mewes, Felix Plasser, Andreas Dreuw
Journal of Chemical Theory and Computation
|
October 4, 2017
Detailed Wave Function Analysis for Multireference Methods: Implementation in the Molcas Program Package and Applications to Tetracene
Felix Plasser, Stefanie A Mewes, Andreas Dreuw, et al.
Journal of Chemical Theory and Computation
|
January 12, 2018
Benchmarking Excited-State Calculations Using Exciton Properties
Stefanie A Mewes, Felix Plasser, Anna Krylov, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 25, 2015
Excitons in poly(para phenylene vinylene): a quantum-chemical perspective based on high-level ab initio calculations
Stefanie A Mewes, Jan-Michael Mewes, Andreas Dreuw, et al.
The Journal of Physical Chemistry Letters
|
October 2, 2019
Electron-Hole Correlation as Unambiguous and Universal Classification for the Nature of Low-Lying ππ* States of Nitrogen Heterocycles
Marvin Hoffmann, Stefanie A Mewes, Sonja Wieland, et al.
Journal of Chemical Theory and Computation
|
September 12, 2019
OpenMolcas: From Source Code to Insight
Ignacio Fdez Galván, Morgane Vacher, Ali Alavi, 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