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Journal of Chemical Theory and Computation
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December 2, 2020
New and Efficient Implementation of CC3
Alexander C Paul, Rolf H Myhre, Henrik Koch
Physical Chemistry Chemical Physics : PCCP
|
March 24, 2022
Multi-electron excitation contributions towards primary and satellite states in the photoelectron spectrum
Torsha Moitra, Alexander C Paul, Piero Decleva, et al.
Journal of Chemical Theory and Computation
|
August 3, 2022
Oscillator Strengths in the Framework of Equation of Motion Multilevel CC3
Alexander C Paul, Sarai Dery Folkestad, Rolf H Myhre, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 4, 2024
Core-ionization spectrum of liquid water
Sourav Dey, Sarai Dery Folkestad, Alexander C Paul, et al.
The Journal of Chemical Physics
|
January 17, 2020
Intermediate state representation approach to physical properties of molecular electron-detached states. II. Benchmarking
Adrian L Dempwolff, Alexander C Paul, Alexandra M Belogolova, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 10, 2022
Excited state absorption of DNA bases in the gas phase and in chloroform solution: a comparative quantum mechanical study
Daniil A Fedotov, Alexander C Paul, Henrik Koch, et al.
The Journal of Chemical Physics
|
January 17, 2020
Intermediate state representation approach to physical properties of molecular electron-detached states. I. Theory and implementation
Adrian L Dempwolff, Alexander C Paul, Alexandra M Belogolova, et al.
Journal of Chemical Theory and Computation
|
January 22, 2025
Tensor Train Optimization for Conformational Sampling of Organic Molecules
Christopher Zurek, Ruslan A Mallaev, Alexander C Paul, et al.
Journal of Chemical Theory and Computation
|
May 7, 2024
Quantum Mechanical Versus Polarizable Embedding Schemes: A Study of the Xray Absorption Spectra of Aqueous Ammonia and Ammonium
Sarai Dery Folkestad, Alexander C Paul, Regina Paul Née Matveeva, et al.
Nature Communications
|
April 26, 2024
Understanding X-ray absorption in liquid water using triple excitations in multilevel coupled cluster theory
Sarai Dery Folkestad, Alexander C Paul, Regina Paul Née Matveeva, et al.
Page
of 2
Search research articles
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Showing results (1-10 of 20) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
December 2, 2020
New and Efficient Implementation of CC3
Alexander C Paul, Rolf H Myhre, Henrik Koch
Physical Chemistry Chemical Physics : PCCP
|
March 24, 2022
Multi-electron excitation contributions towards primary and satellite states in the photoelectron spectrum
Torsha Moitra, Alexander C Paul, Piero Decleva, et al.
Journal of Chemical Theory and Computation
|
August 3, 2022
Oscillator Strengths in the Framework of Equation of Motion Multilevel CC3
Alexander C Paul, Sarai Dery Folkestad, Rolf H Myhre, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 4, 2024
Core-ionization spectrum of liquid water
Sourav Dey, Sarai Dery Folkestad, Alexander C Paul, et al.
The Journal of Chemical Physics
|
January 17, 2020
Intermediate state representation approach to physical properties of molecular electron-detached states. II. Benchmarking
Adrian L Dempwolff, Alexander C Paul, Alexandra M Belogolova, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 10, 2022
Excited state absorption of DNA bases in the gas phase and in chloroform solution: a comparative quantum mechanical study
Daniil A Fedotov, Alexander C Paul, Henrik Koch, et al.
The Journal of Chemical Physics
|
January 17, 2020
Intermediate state representation approach to physical properties of molecular electron-detached states. I. Theory and implementation
Adrian L Dempwolff, Alexander C Paul, Alexandra M Belogolova, et al.
Journal of Chemical Theory and Computation
|
January 22, 2025
Tensor Train Optimization for Conformational Sampling of Organic Molecules
Christopher Zurek, Ruslan A Mallaev, Alexander C Paul, et al.
Journal of Chemical Theory and Computation
|
May 7, 2024
Quantum Mechanical Versus Polarizable Embedding Schemes: A Study of the Xray Absorption Spectra of Aqueous Ammonia and Ammonium
Sarai Dery Folkestad, Alexander C Paul, Regina Paul Née Matveeva, et al.
Nature Communications
|
April 26, 2024
Understanding X-ray absorption in liquid water using triple excitations in multilevel coupled cluster theory
Sarai Dery Folkestad, Alexander C Paul, Regina Paul Née Matveeva, et al.
Page
of 2