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Journal of Chemical Theory and Computation
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January 6, 2016
Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules I. Reference Data at the CCSD(T) Complete Basis Set Limit
Ryan M Richard, Michael S Marshall, O Dolgounitcheva, et al.
Journal of Chemical Theory and Computation
|
January 6, 2016
Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules IV: Electron-Propagator Methods
O Dolgounitcheva, Manuel Díaz-Tinoco, V G Zakrzewski, et al.
Journal of Chemical Theory and Computation
|
December 17, 2016
Correction to Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules IV: Electron-Propagator Methods
O Dolgounitcheva, Manuel Díaz-Tinoco, V G Zakrzewski, et al.
Angewandte Chemie (International Ed. in English)
|
May 18, 2013
Many-body dispersion interactions in molecular crystal polymorphism
Noa Marom, Robert A DiStasio, Viktor Atalla, et al.
Journal of Chemical Theory and Computation
|
January 6, 2016
Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules III: A Benchmark of GW Methods
Joseph W Knight, Xiaopeng Wang, Lukas Gallandi, et al.
ACS Applied Materials & Interfaces
|
January 13, 2025
First-Principles Assessment of ZnTe and CdSe as Prospective Tunnel Barriers at the InAs/Al Interface
Malcolm J A Jardine, Derek Dardzinski, Zefeng Cai, et al.
Chemistry of Materials : a Publication of the American Chemical Society
|
March 31, 2023
Inverse Design of Tetracene Polymorphs with Enhanced Singlet Fission Performance by Property-Based Genetic Algorithm Optimization
Rithwik Tom, Siyu Gao, Yi Yang, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
June 12, 2021
3D Electron Diffraction Structure Determination of Terrylene, a Promising Candidate for Intermolecular Singlet Fission
Charlie L Hall, Iryna Andrusenko, Jason Potticary, et al.
Iucrj
|
January 4, 2023
True molecular conformation and structure determination by three-dimensional electron diffraction of PAH by-products potentially useful for electronic applications
Iryna Andrusenko, Charlie L Hall, Enrico Mugnaioli, et al.
Crystal Growth & Design
|
November 10, 2025
Efficient Molecular Crystal Structure Prediction and Stability Assessment with AIMNet2 Neural Network Potentials
Kamal Singh Nayal, Dana O'Connor, Roman Zubatyuk, et al.
Page
of 5
Search research articles
Search
Showing results (31-40 of 49) with videos related to
Sort By:
Page
of 5
Journal of Chemical Theory and Computation
|
January 6, 2016
Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules I. Reference Data at the CCSD(T) Complete Basis Set Limit
Ryan M Richard, Michael S Marshall, O Dolgounitcheva, et al.
Journal of Chemical Theory and Computation
|
January 6, 2016
Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules IV: Electron-Propagator Methods
O Dolgounitcheva, Manuel Díaz-Tinoco, V G Zakrzewski, et al.
Journal of Chemical Theory and Computation
|
December 17, 2016
Correction to Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules IV: Electron-Propagator Methods
O Dolgounitcheva, Manuel Díaz-Tinoco, V G Zakrzewski, et al.
Angewandte Chemie (International Ed. in English)
|
May 18, 2013
Many-body dispersion interactions in molecular crystal polymorphism
Noa Marom, Robert A DiStasio, Viktor Atalla, et al.
Journal of Chemical Theory and Computation
|
January 6, 2016
Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules III: A Benchmark of GW Methods
Joseph W Knight, Xiaopeng Wang, Lukas Gallandi, et al.
ACS Applied Materials & Interfaces
|
January 13, 2025
First-Principles Assessment of ZnTe and CdSe as Prospective Tunnel Barriers at the InAs/Al Interface
Malcolm J A Jardine, Derek Dardzinski, Zefeng Cai, et al.
Chemistry of Materials : a Publication of the American Chemical Society
|
March 31, 2023
Inverse Design of Tetracene Polymorphs with Enhanced Singlet Fission Performance by Property-Based Genetic Algorithm Optimization
Rithwik Tom, Siyu Gao, Yi Yang, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
June 12, 2021
3D Electron Diffraction Structure Determination of Terrylene, a Promising Candidate for Intermolecular Singlet Fission
Charlie L Hall, Iryna Andrusenko, Jason Potticary, et al.
Iucrj
|
January 4, 2023
True molecular conformation and structure determination by three-dimensional electron diffraction of PAH by-products potentially useful for electronic applications
Iryna Andrusenko, Charlie L Hall, Enrico Mugnaioli, et al.
Crystal Growth & Design
|
November 10, 2025
Efficient Molecular Crystal Structure Prediction and Stability Assessment with AIMNet2 Neural Network Potentials
Kamal Singh Nayal, Dana O'Connor, Roman Zubatyuk, et al.
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