Bold, Beatrix M.
~ 400  Ergebnisse:
Personensuche X
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1

Correction: Benchmark and performance of long-range correct..:

Bold, Beatrix M. ; Sokolov, Monja ; Maity, Sayan...
Physical Chemistry Chemical Physics.  25 (2023)  33 - p. 22535-22537 , 2023
 
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2

Geometry dependence of excitonic couplings and the conseque..:

Schieschke, Nils ; Bold, Beatrix M. ; Dohmen, Philipp M....
Journal of Computational Chemistry.  42 (2021)  20 - p. 1402-1418 , 2021
 
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3

Analytical Time-Dependent Long-Range Corrected Density Func..:

Sokolov, Monja ; Bold, Beatrix M. ; Kranz, Julian J....
Journal of Chemical Theory and Computation.  17 (2021)  4 - p. 2266-2282 , 2021
 
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4

Benchmark and performance of long-range corrected time-depe..:

Bold, Beatrix M. ; Sokolov, Monja ; Maity, Sayan...
Physical Chemistry Chemical Physics.  22 (2020)  19 - p. 10500-10518 , 2020
 
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5

DFTB/MM Molecular Dynamics Simulations of the FMO Light-Har..:

Maity, Sayan ; Bold, Beatrix M. ; Prajapati, Jigneshkumar Dahyabhai...
The Journal of Physical Chemistry Letters.  11 (2020)  20 - p. 8660-8667 , 2020
 
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11

Active site structure and absorption spectrum of channelrho..:

Guo, Yanan ; Beyle, Franziska E ; Bold, Beatrix M...
info:eu-repo/semantics/altIdentifier/doi/10.1039/C6SC00468G.  , 2016
 
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13

Analytical Time-Dependent Long-Range Corrected Density Func..:

Monja Sokolov (6618701) ; Beatrix M. Bold (9437556) ; Julian J. Kranz (4720122)...
https://figshare.com/articles/journal_contribution/Analytical_Time-Dependent_Long-Range_Corrected_Density_Functional_Tight_Binding_TD-LC-DFTB_Gradients_in_DFTB_Implementation_and_Benchmark_for_Excited-State_Geometries_and_Transition_Energies/14188453.  , 2021
 
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