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Journal of Chemical Theory and Computation
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April 26, 2017
Local Electron Correlation Treatment in Extended Multireference Calculations: Effect of Acceptor-Donor Substituents on the Biradical Character of the Polycyclic Aromatic Hydrocarbon Heptazethrene
Anita Das, Thomas Müller, Felix Plasser, et al.
The Journal of Physical Chemistry. A
|
May 20, 2015
Intramolecular Charge-Transfer Excited-State Processes in 4-(N,N-Dimethylamino)benzonitrile: The Role of Twisting and the πσ* State
Ivelina Georgieva, Adélia J A Aquino, Felix Plasser, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 13, 2012
The effect of hydrogen bonding on the excited-state proton transfer in 2-(2'-hydroxyphenyl)benzothiazole: a TDDFT molecular dynamics study
Nawee Kungwan, Felix Plasser, Adélia J A Aquino, et al.
The Journal of Physical Chemistry Letters
|
February 17, 2017
Ultrafast Electronic Energy Transfer in an Orthogonal Molecular Dyad
Christian Wiebeler, Felix Plasser, Gordon J Hedley, et al.
Journal of Chemical Theory and Computation
|
November 16, 2017
Nonadiabatic Dynamics of Cycloparaphenylenes with TD-DFTB Surface Hopping
Ljiljana Stojanović, Saadullah G Aziz, Rifaat H Hilal, et al.
Journal of Chemical Theory and Computation
|
August 28, 2025
Machine Learning Densities, Detonation Velocities, and Formation Enthalpies of Energetic Materials Using Quantum Chemistry Descriptors
Patrick Kimber, James Mattock, Sophia Wheeler, et al.
Journal of Computational Chemistry
|
June 30, 2015
Statistical analysis of electronic excitation processes: Spatial location, compactness, charge transfer, and electron-hole correlation
Felix Plasser, Benjamin Thomitzni, Stefanie A Bäppler, et al.
Organic Chemistry Frontiers : an International Journal of Organic Chemistry
|
September 6, 2021
Functional group introduction and aromatic unit variation in a set of π-conjugated macrocycles: revealing the central role of local and global aromaticity
Martina Rimmele, Wojciech Nogala, Maryam Seif-Eddine, et al.
Faraday Discussions
|
November 15, 2023
Reducing undesired solubility of squarephaneic tetraimide for use as an organic battery electrode material
Bowen Ding, Manik Bhosale, Troy L R Bennett, et al.
Chemical Science
|
April 18, 2022
Sterically demanding macrocyclic Eu(iii) complexes for selective recognition of phosphate and real-time monitoring of enzymatically generated adenosine monophosphate
Samantha E Bodman, Colum Breen, Sam Kirkland, et al.
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Search research articles
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Showing results (51-60 of 96) with videos related to
Sort By:
Page
of 10
Journal of Chemical Theory and Computation
|
April 26, 2017
Local Electron Correlation Treatment in Extended Multireference Calculations: Effect of Acceptor-Donor Substituents on the Biradical Character of the Polycyclic Aromatic Hydrocarbon Heptazethrene
Anita Das, Thomas Müller, Felix Plasser, et al.
The Journal of Physical Chemistry. A
|
May 20, 2015
Intramolecular Charge-Transfer Excited-State Processes in 4-(N,N-Dimethylamino)benzonitrile: The Role of Twisting and the πσ* State
Ivelina Georgieva, Adélia J A Aquino, Felix Plasser, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 13, 2012
The effect of hydrogen bonding on the excited-state proton transfer in 2-(2'-hydroxyphenyl)benzothiazole: a TDDFT molecular dynamics study
Nawee Kungwan, Felix Plasser, Adélia J A Aquino, et al.
The Journal of Physical Chemistry Letters
|
February 17, 2017
Ultrafast Electronic Energy Transfer in an Orthogonal Molecular Dyad
Christian Wiebeler, Felix Plasser, Gordon J Hedley, et al.
Journal of Chemical Theory and Computation
|
November 16, 2017
Nonadiabatic Dynamics of Cycloparaphenylenes with TD-DFTB Surface Hopping
Ljiljana Stojanović, Saadullah G Aziz, Rifaat H Hilal, et al.
Journal of Chemical Theory and Computation
|
August 28, 2025
Machine Learning Densities, Detonation Velocities, and Formation Enthalpies of Energetic Materials Using Quantum Chemistry Descriptors
Patrick Kimber, James Mattock, Sophia Wheeler, et al.
Journal of Computational Chemistry
|
June 30, 2015
Statistical analysis of electronic excitation processes: Spatial location, compactness, charge transfer, and electron-hole correlation
Felix Plasser, Benjamin Thomitzni, Stefanie A Bäppler, et al.
Organic Chemistry Frontiers : an International Journal of Organic Chemistry
|
September 6, 2021
Functional group introduction and aromatic unit variation in a set of π-conjugated macrocycles: revealing the central role of local and global aromaticity
Martina Rimmele, Wojciech Nogala, Maryam Seif-Eddine, et al.
Faraday Discussions
|
November 15, 2023
Reducing undesired solubility of squarephaneic tetraimide for use as an organic battery electrode material
Bowen Ding, Manik Bhosale, Troy L R Bennett, et al.
Chemical Science
|
April 18, 2022
Sterically demanding macrocyclic Eu(iii) complexes for selective recognition of phosphate and real-time monitoring of enzymatically generated adenosine monophosphate
Samantha E Bodman, Colum Breen, Sam Kirkland, et al.
Page
of 10