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Chimia
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May 23, 2012
Application of explicitly localized molecular orbitals to electronic structure calculations
Piotr de Silva, Marcin Makowski, Jacek Korchowiec
Journal of Chemical Theory and Computation
|
August 12, 2021
Unified Framework for Photophysical Rate Calculations in TADF Molecules
Leonardo Evaristo de Sousa, Piotr de Silva
Journal of Chemical Theory and Computation
|
August 25, 2022
Diabatic Decomposition Perspective on the Role of Charge Transfer and Local Excitations in Thermally Activated Delayed Fluorescence
Leonardo Evaristo de Sousa, Piotr de Silva
Chemsuschem
|
May 25, 2023
Density Functional Theory-Based Protocol to Calculate the Redox Potentials of First-row Transition Metal Complexes for Aqueous Redox Targeting Flow Batteries
Noura Rahbani, Piotr de Silva, Emmanuel Baudrin
The Journal of Physical Chemistry. A
|
September 20, 2023
Photophysics of Solvated Molecules: Computational Protocol Combining Nuclear Ensemble and Nonequilibrium State-Specific Solvation Methods
Leonardo Evaristo de Sousa, Piotr de Silva
Physical Chemistry Chemical Physics : PCCP
|
November 29, 2011
Fast orbital localization scheme in molecular fragments resolution
Piotr de Silva, Marek Giebułtowski, Jacek Korchowiec
The Journal of Chemical Physics
|
May 3, 2014
Atomic shell structure from the Single-Exponential Decay Detector
Piotr de Silva, Jacek Korchowiec, Tomasz A Wesolowski
Journal of Chemical Theory and Computation
|
January 29, 2019
Implementation of the Many-Pair Expansion for Systematically Improving Density Functional Calculations of Molecules
Tianyu Zhu, Piotr de Silva, Troy Van Voorhis
The Journal of Chemical Physics
|
January 16, 2017
Long-range interactions from the many-pair expansion: A different avenue to dispersion in DFT
Piotr de Silva, Tianyu Zhu, Troy Van Voorhis
Journal of Chemical Theory and Computation
|
December 12, 2017
Self-Attractive Hartree Decomposition: Partitioning Electron Density into Smooth Localized Fragments
Tianyu Zhu, Piotr de Silva, Troy Van Voorhis
Page
of 4
Search research articles
Search
Showing results (11-20 of 38) with videos related to
Sort By:
Page
of 4
Chimia
|
May 23, 2012
Application of explicitly localized molecular orbitals to electronic structure calculations
Piotr de Silva, Marcin Makowski, Jacek Korchowiec
Journal of Chemical Theory and Computation
|
August 12, 2021
Unified Framework for Photophysical Rate Calculations in TADF Molecules
Leonardo Evaristo de Sousa, Piotr de Silva
Journal of Chemical Theory and Computation
|
August 25, 2022
Diabatic Decomposition Perspective on the Role of Charge Transfer and Local Excitations in Thermally Activated Delayed Fluorescence
Leonardo Evaristo de Sousa, Piotr de Silva
Chemsuschem
|
May 25, 2023
Density Functional Theory-Based Protocol to Calculate the Redox Potentials of First-row Transition Metal Complexes for Aqueous Redox Targeting Flow Batteries
Noura Rahbani, Piotr de Silva, Emmanuel Baudrin
The Journal of Physical Chemistry. A
|
September 20, 2023
Photophysics of Solvated Molecules: Computational Protocol Combining Nuclear Ensemble and Nonequilibrium State-Specific Solvation Methods
Leonardo Evaristo de Sousa, Piotr de Silva
Physical Chemistry Chemical Physics : PCCP
|
November 29, 2011
Fast orbital localization scheme in molecular fragments resolution
Piotr de Silva, Marek Giebułtowski, Jacek Korchowiec
The Journal of Chemical Physics
|
May 3, 2014
Atomic shell structure from the Single-Exponential Decay Detector
Piotr de Silva, Jacek Korchowiec, Tomasz A Wesolowski
Journal of Chemical Theory and Computation
|
January 29, 2019
Implementation of the Many-Pair Expansion for Systematically Improving Density Functional Calculations of Molecules
Tianyu Zhu, Piotr de Silva, Troy Van Voorhis
The Journal of Chemical Physics
|
January 16, 2017
Long-range interactions from the many-pair expansion: A different avenue to dispersion in DFT
Piotr de Silva, Tianyu Zhu, Troy Van Voorhis
Journal of Chemical Theory and Computation
|
December 12, 2017
Self-Attractive Hartree Decomposition: Partitioning Electron Density into Smooth Localized Fragments
Tianyu Zhu, Piotr de Silva, Troy Van Voorhis
Page
of 4