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Molecules (Basel, Switzerland)
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March 25, 2017
Nonradiative Relaxation Mechanisms of UV Excited Phenylalanine Residues: A Comparative Computational Study
Momir Mališ, Nađa Došlić
Journal of Chemical Theory and Computation
|
February 25, 2021
ΔSCF with Subsystem Density Embedding for Efficient Nonadiabatic Molecular Dynamics in Condensed-Phase Systems
Momir Mališ, Sandra Luber
Journal of Chemical Theory and Computation
|
July 1, 2020
Trajectory Surface Hopping Nonadiabatic Molecular Dynamics with Kohn-Sham ΔSCF for Condensed-Phase Systems
Momir Mališ, Sandra Luber
Journal of Chemical Theory and Computation
|
March 2, 2026
Origin of the Singlet Excited Electronic Energy Shifts in ΔSCF with Fractional Occupation Numbers and Hybrid Density Functionals
Momir Mališ, Sandra Luber
Journal of Chemical Theory and Computation
|
April 12, 2024
The Role of Aqueous Solvation on the Intersystem Crossing of Nitrophenols
Eva Vandaele, Momir Mališ, Sandra Luber
Journal of Chemical Theory and Computation
|
June 6, 2022
Spin-Orbit Couplings for Nonadiabatic Molecular Dynamics at the ΔSCF Level
Momir Mališ, Eva Vandaele, Sandra Luber
Physical Chemistry Chemical Physics : PCCP
|
February 18, 2022
The photodissociation of solvated cyclopropanone and its hydrate explored <i>via</i> non-adiabatic molecular dynamics using ΔSCF
Eva Vandaele, Momir Mališ, Sandra Luber
The Journal of Chemical Physics
|
April 9, 2022
The ΔSCF method for non-adiabatic dynamics of systems in the liquid phase
Eva Vandaele, Momir Mališ, Sandra Luber
Journal of Chemical Theory and Computation
|
January 4, 2024
A Local Diabatisation Method for Two-State Adiabatic Conical Intersections
Eva Vandaele, Momir Mališ, Sandra Luber
Journal of Chemical Theory and Computation
|
July 22, 2025
Bridging the Gap between Variational and Perturbational DFT-Based Methods for Calculating Excited States
Andrey Sinyavskiy, Momir Mališ, Sandra Luber
Page
of 2
Search research articles
Search
Showing results (1-10 of 20) with videos related to
Sort By:
Page
of 2
Molecules (Basel, Switzerland)
|
March 25, 2017
Nonradiative Relaxation Mechanisms of UV Excited Phenylalanine Residues: A Comparative Computational Study
Momir Mališ, Nađa Došlić
Journal of Chemical Theory and Computation
|
February 25, 2021
ΔSCF with Subsystem Density Embedding for Efficient Nonadiabatic Molecular Dynamics in Condensed-Phase Systems
Momir Mališ, Sandra Luber
Journal of Chemical Theory and Computation
|
July 1, 2020
Trajectory Surface Hopping Nonadiabatic Molecular Dynamics with Kohn-Sham ΔSCF for Condensed-Phase Systems
Momir Mališ, Sandra Luber
Journal of Chemical Theory and Computation
|
March 2, 2026
Origin of the Singlet Excited Electronic Energy Shifts in ΔSCF with Fractional Occupation Numbers and Hybrid Density Functionals
Momir Mališ, Sandra Luber
Journal of Chemical Theory and Computation
|
April 12, 2024
The Role of Aqueous Solvation on the Intersystem Crossing of Nitrophenols
Eva Vandaele, Momir Mališ, Sandra Luber
Journal of Chemical Theory and Computation
|
June 6, 2022
Spin-Orbit Couplings for Nonadiabatic Molecular Dynamics at the ΔSCF Level
Momir Mališ, Eva Vandaele, Sandra Luber
Physical Chemistry Chemical Physics : PCCP
|
February 18, 2022
The photodissociation of solvated cyclopropanone and its hydrate explored <i>via</i> non-adiabatic molecular dynamics using ΔSCF
Eva Vandaele, Momir Mališ, Sandra Luber
The Journal of Chemical Physics
|
April 9, 2022
The ΔSCF method for non-adiabatic dynamics of systems in the liquid phase
Eva Vandaele, Momir Mališ, Sandra Luber
Journal of Chemical Theory and Computation
|
January 4, 2024
A Local Diabatisation Method for Two-State Adiabatic Conical Intersections
Eva Vandaele, Momir Mališ, Sandra Luber
Journal of Chemical Theory and Computation
|
July 22, 2025
Bridging the Gap between Variational and Perturbational DFT-Based Methods for Calculating Excited States
Andrey Sinyavskiy, Momir Mališ, Sandra Luber
Page
of 2