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The Journal of Chemical Physics
|
December 23, 2019
Vibrational (resonance) Raman optical activity with real time time dependent density functional theory
Johann Mattiat, Sandra Luber
The Journal of Chemical Physics
|
March 17, 2018
Effects of tunnelling and asymmetry for system-bath models of electron transfer
Johann Mattiat, Jeremy O Richardson
The Journal of Chemical Physics
|
November 10, 2018
Efficient calculation of (resonance) Raman spectra and excitation profiles with real-time propagation
Johann Mattiat, Sandra Luber
Journal of Chemical Theory and Computation
|
August 30, 2022
Comparison of Length, Velocity, and Symmetric Gauges for the Calculation of Absorption and Electric Circular Dichroism Spectra with Real-Time Time-Dependent Density Functional Theory
Johann Mattiat, Sandra Luber
Journal of Chemical Theory and Computation
|
December 3, 2020
Time Domain Simulation of (Resonance) Raman Spectra of Liquids in the Short Time Approximation
Johann Mattiat, Sandra Luber
Nature Communications
|
January 7, 2023
Automatic purpose-driven basis set truncation for time-dependent Hartree-Fock and density-functional theory
Ruocheng Han, Johann Mattiat, Sandra Luber
Physical Chemistry Chemical Physics : PCCP
|
May 22, 2023
The position operator problem in periodic calculations with an emphasis on theoretical spectroscopy
Edward Ditler, Johann Mattiat, Sandra Luber
Journal of the American Chemical Society
|
February 13, 2023
BODIPY-Based Photothermal Agents with Excellent Phototoxic Indices for Cancer Treatment
Lukas Schneider, Martina Kalt, Samuel Koch, et al.
The Journal of Physical Chemistry. A
|
August 4, 2025
Exploring Excited-State Electronic Structure, Spectroscopy, and Nonadiabatic Dynamics with CP2K's Multifaceted Approach
Kota Hanasaki, Tjeerd Futaii de Jong, Konstantin Komarov, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
December 23, 2019
Vibrational (resonance) Raman optical activity with real time time dependent density functional theory
Johann Mattiat, Sandra Luber
The Journal of Chemical Physics
|
March 17, 2018
Effects of tunnelling and asymmetry for system-bath models of electron transfer
Johann Mattiat, Jeremy O Richardson
The Journal of Chemical Physics
|
November 10, 2018
Efficient calculation of (resonance) Raman spectra and excitation profiles with real-time propagation
Johann Mattiat, Sandra Luber
Journal of Chemical Theory and Computation
|
August 30, 2022
Comparison of Length, Velocity, and Symmetric Gauges for the Calculation of Absorption and Electric Circular Dichroism Spectra with Real-Time Time-Dependent Density Functional Theory
Johann Mattiat, Sandra Luber
Journal of Chemical Theory and Computation
|
December 3, 2020
Time Domain Simulation of (Resonance) Raman Spectra of Liquids in the Short Time Approximation
Johann Mattiat, Sandra Luber
Nature Communications
|
January 7, 2023
Automatic purpose-driven basis set truncation for time-dependent Hartree-Fock and density-functional theory
Ruocheng Han, Johann Mattiat, Sandra Luber
Physical Chemistry Chemical Physics : PCCP
|
May 22, 2023
The position operator problem in periodic calculations with an emphasis on theoretical spectroscopy
Edward Ditler, Johann Mattiat, Sandra Luber
Journal of the American Chemical Society
|
February 13, 2023
BODIPY-Based Photothermal Agents with Excellent Phototoxic Indices for Cancer Treatment
Lukas Schneider, Martina Kalt, Samuel Koch, et al.
The Journal of Physical Chemistry. A
|
August 4, 2025
Exploring Excited-State Electronic Structure, Spectroscopy, and Nonadiabatic Dynamics with CP2K's Multifaceted Approach
Kota Hanasaki, Tjeerd Futaii de Jong, Konstantin Komarov, et al.
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of 1