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Journal of Chemical Theory and Computation
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October 8, 2024
Configuration Interaction in Frontier Molecular Orbital Basis for Screening the Spin-Correlated, Spatially Separated Triplet Pair State <sup>1</sup>(T···T) Formation
Anurag Singh, Merle I S Röhr
Physical Chemistry Chemical Physics : PCCP
|
November 2, 2019
Metadynamics for automatic sampling of quantum property manifolds: exploration of molecular biradicality landscapes
Joachim O Lindner, Merle I S Röhr
Physical Chemistry Chemical Physics : PCCP
|
March 9, 2016
Vibrationally resolved optical spectra and ultrafast electronic relaxation dynamics of diamantane
Merle I S Röhr, Roland Mitrić, Jens Petersen
Physical Chemistry Chemical Physics : PCCP
|
October 20, 2025
Substituent effects on the supramolecular arrangement in bio-inspired chlorin nanotubes
Michael Bühler, Richard Einsele, Merle I S Röhr
The Journal of Physical Chemistry. A
|
January 9, 2025
Diffusion Generative Models for Designing Efficient Singlet Fission Dimers
Lasse Kreimendahl, Mikhail Karnaukh, Merle I S Röhr
Physical Chemistry Chemical Physics : PCCP
|
July 22, 2021
Energetics and optimal molecular packing for singlet fission in BN-doped perylenes: electronic adiabatic state basis screening
Anurag Singh, Alexander Humeniuk, Merle I S Röhr
The Journal of Physical Chemistry. A
|
June 9, 2016
Excitonic Properties of Ordered Metal Nanocluster Arrays: 2D Silver Clusters at Multiporphyrin Templates
Merle I S Röhr, Polina G Lisinetskaya, Roland Mitric
Physical Chemistry Chemical Physics : PCCP
|
July 3, 2024
Functionality optimization for effective singlet fission coupling screening in the full-dimensional molecular and intermolecular coordinate space
Johannes E Greiner, Anurag Singh, Merle I S Röhr
Journal of the American Chemical Society
|
March 15, 2021
Perspectives in Dye Chemistry: A Rational Approach toward Functional Materials by Understanding the Aggregate State
David Bialas, Eva Kirchner, Merle I S Röhr, et al.
Journal of Chemical Theory and Computation
|
April 21, 2026
Fragment-Based Configuration Interaction: Toward a Unifying Description of Biexcitonic Processes in Molecular Aggregates
Johannes E Adelsperger, Coen de Graaf, Merle I S Röhr
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Search research articles
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Showing results (1-10 of 26) with videos related to
Sort By:
Page
of 3
Journal of Chemical Theory and Computation
|
October 8, 2024
Configuration Interaction in Frontier Molecular Orbital Basis for Screening the Spin-Correlated, Spatially Separated Triplet Pair State <sup>1</sup>(T···T) Formation
Anurag Singh, Merle I S Röhr
Physical Chemistry Chemical Physics : PCCP
|
November 2, 2019
Metadynamics for automatic sampling of quantum property manifolds: exploration of molecular biradicality landscapes
Joachim O Lindner, Merle I S Röhr
Physical Chemistry Chemical Physics : PCCP
|
March 9, 2016
Vibrationally resolved optical spectra and ultrafast electronic relaxation dynamics of diamantane
Merle I S Röhr, Roland Mitrić, Jens Petersen
Physical Chemistry Chemical Physics : PCCP
|
October 20, 2025
Substituent effects on the supramolecular arrangement in bio-inspired chlorin nanotubes
Michael Bühler, Richard Einsele, Merle I S Röhr
The Journal of Physical Chemistry. A
|
January 9, 2025
Diffusion Generative Models for Designing Efficient Singlet Fission Dimers
Lasse Kreimendahl, Mikhail Karnaukh, Merle I S Röhr
Physical Chemistry Chemical Physics : PCCP
|
July 22, 2021
Energetics and optimal molecular packing for singlet fission in BN-doped perylenes: electronic adiabatic state basis screening
Anurag Singh, Alexander Humeniuk, Merle I S Röhr
The Journal of Physical Chemistry. A
|
June 9, 2016
Excitonic Properties of Ordered Metal Nanocluster Arrays: 2D Silver Clusters at Multiporphyrin Templates
Merle I S Röhr, Polina G Lisinetskaya, Roland Mitric
Physical Chemistry Chemical Physics : PCCP
|
July 3, 2024
Functionality optimization for effective singlet fission coupling screening in the full-dimensional molecular and intermolecular coordinate space
Johannes E Greiner, Anurag Singh, Merle I S Röhr
Journal of the American Chemical Society
|
March 15, 2021
Perspectives in Dye Chemistry: A Rational Approach toward Functional Materials by Understanding the Aggregate State
David Bialas, Eva Kirchner, Merle I S Röhr, et al.
Journal of Chemical Theory and Computation
|
April 21, 2026
Fragment-Based Configuration Interaction: Toward a Unifying Description of Biexcitonic Processes in Molecular Aggregates
Johannes E Adelsperger, Coen de Graaf, Merle I S Röhr
Page
of 3