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Physical Chemistry Chemical Physics : PCCP
|
May 2, 2020
Twisting and bending photo-excited phenylethynylbenzenes - a theoretical analysis
Manuel Hodecker, Alexis M Driscoll, Uwe H F Bunz, et al.
Journal of Chemical Theory and Computation
|
May 13, 2020
Third-Order Unitary Coupled Cluster (UCC3) for Excited Electronic States: Efficient Implementation and Benchmarking
Manuel Hodecker, Sebastian M Thielen, Junzi Liu, et al.
The Journal of Chemical Physics
|
April 23, 2021
Unitary coupled-cluster approach for the calculation of core-excited states and x-ray absorption spectra
Sebastian M Thielen, Manuel Hodecker, Julia Piazolo, et al.
The Journal of Physical Chemistry. A
|
January 6, 2026
VeloxChem: Large-Scale DFT Calculations of Geometric Derivatives up to Second Order for Simulation of IR Spectra
Josefine H Andersen, Iulia Emilia Brumboiu, Manuel Hodecker, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
April 29, 2017
Alkyne-Substituted N-Heterophenes
Sebastian Hahn, Silke Koser, Manuel Hodecker, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
June 28, 2018
Azaacenes Bearing Five-Membered Rings
Michael Ganschow, Silke Koser, Manuel Hodecker, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
October 5, 2020
A Doubly Bridged Bis(phenylethynyl)benzene: Different from a Twisted Tolan
Manuel Hodecker, Yury Kozhemyakin, Svenja Weigold, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
February 1, 2018
Phenylene Bridged Cyclic Azaacenes: Dimers and Trimers
Sebastian Hahn, Silke Koser, Manuel Hodecker, et al.
Angewandte Chemie (International Ed. in English)
|
March 20, 2020
Quinoidal Azaacenes: 99 % Diradical Character
Sebastian N Intorp, Manuel Hodecker, Matthias Müller, et al.
The Journal of Chemical Physics
|
September 2, 2021
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
Evgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng, et al.
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Showing results (11-20 of 20) with videos related to
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Page
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You have reached the last page of results.
This site can display upto 20 results.
Physical Chemistry Chemical Physics : PCCP
|
May 2, 2020
Twisting and bending photo-excited phenylethynylbenzenes - a theoretical analysis
Manuel Hodecker, Alexis M Driscoll, Uwe H F Bunz, et al.
Journal of Chemical Theory and Computation
|
May 13, 2020
Third-Order Unitary Coupled Cluster (UCC3) for Excited Electronic States: Efficient Implementation and Benchmarking
Manuel Hodecker, Sebastian M Thielen, Junzi Liu, et al.
The Journal of Chemical Physics
|
April 23, 2021
Unitary coupled-cluster approach for the calculation of core-excited states and x-ray absorption spectra
Sebastian M Thielen, Manuel Hodecker, Julia Piazolo, et al.
The Journal of Physical Chemistry. A
|
January 6, 2026
VeloxChem: Large-Scale DFT Calculations of Geometric Derivatives up to Second Order for Simulation of IR Spectra
Josefine H Andersen, Iulia Emilia Brumboiu, Manuel Hodecker, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
April 29, 2017
Alkyne-Substituted N-Heterophenes
Sebastian Hahn, Silke Koser, Manuel Hodecker, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
June 28, 2018
Azaacenes Bearing Five-Membered Rings
Michael Ganschow, Silke Koser, Manuel Hodecker, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
October 5, 2020
A Doubly Bridged Bis(phenylethynyl)benzene: Different from a Twisted Tolan
Manuel Hodecker, Yury Kozhemyakin, Svenja Weigold, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
February 1, 2018
Phenylene Bridged Cyclic Azaacenes: Dimers and Trimers
Sebastian Hahn, Silke Koser, Manuel Hodecker, et al.
Angewandte Chemie (International Ed. in English)
|
March 20, 2020
Quinoidal Azaacenes: 99 % Diradical Character
Sebastian N Intorp, Manuel Hodecker, Matthias Müller, et al.
The Journal of Chemical Physics
|
September 2, 2021
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
Evgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng, et al.
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of 2