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Journal of Computational Chemistry
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August 8, 2022
Nonlinear optical properties DFT calculations of polyacethylene and copolymers models substituted with aldimines chromophores as side chains
Fatima-Zohra Benchehaima, Michael Springborg, Majda Sekkal Rahal
The Journal of Physical Chemistry. A
|
August 6, 2008
Structural and energetic properties of Ni-Cu bimetallic clusters
Elisaveta Hristova, Yi Dong, Valeri G Grigoryan, et al.
Journal of Molecular Graphics & Modelling
|
July 19, 2020
Optimizing small conjugated molecules for solar-cell applications using an inverse-design method
Abdullah S Khazaal, Michael Springborg, Chencheng Fan, et al.
The Journal of Physical Chemistry. A
|
February 15, 2022
Role of the Backbone when Optimizing Functional Groups─A Theoretical Study Based on an Improved Inverse-Design Approach
Chencheng Fan, Mohammad Molayem, Michael Springborg, et al.
The Journal of Physical Chemistry. A
|
April 17, 2019
Density Functional Theory Descriptors for Ionic Liquids and the Introduction of a Coulomb Correction
Frederik Philippi, Anna Quinten, Daniel Rauber, et al.
Journal of Molecular Modeling
|
October 12, 2018
A structural DFT study of MM, GG, MG, and GM alginic acid disaccharides and reactivity of the MG metallic complexes
Lahcène Bekri, Mourad Zouaoui-Rabah, Michael Springborg, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 29, 2005
Properties of polythiophene and related conjugated polymers: a density-functional study
Abu Md Asaduzzaman, Karla Schmidt-D'Aloisio, Yi Dong, et al.
Molecules (Basel, Switzerland)
|
January 8, 2023
Theoretical Study on Non-Linear Optics Properties of Polycyclic Aromatic Hydrocarbons and the Effect of Their Intercalation with Carbon Nanotubes
Imane Khelladi, Michael Springborg, Ali Rahmouni, et al.
The Journal of Chemical Physics
|
May 27, 2009
Band structures built by the elongation method
Anna Pomogaeva, Michael Springborg, Bernard Kirtman, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 23, 2016
Magnetostructural phase transition assisted by temperature in Ag-αMnO2: a density functional theory study
Francisco Sánchez Ochoa, Zhiwei Huang, Xingfu Tang, 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 Computational Chemistry
|
August 8, 2022
Nonlinear optical properties DFT calculations of polyacethylene and copolymers models substituted with aldimines chromophores as side chains
Fatima-Zohra Benchehaima, Michael Springborg, Majda Sekkal Rahal
The Journal of Physical Chemistry. A
|
August 6, 2008
Structural and energetic properties of Ni-Cu bimetallic clusters
Elisaveta Hristova, Yi Dong, Valeri G Grigoryan, et al.
Journal of Molecular Graphics & Modelling
|
July 19, 2020
Optimizing small conjugated molecules for solar-cell applications using an inverse-design method
Abdullah S Khazaal, Michael Springborg, Chencheng Fan, et al.
The Journal of Physical Chemistry. A
|
February 15, 2022
Role of the Backbone when Optimizing Functional Groups─A Theoretical Study Based on an Improved Inverse-Design Approach
Chencheng Fan, Mohammad Molayem, Michael Springborg, et al.
The Journal of Physical Chemistry. A
|
April 17, 2019
Density Functional Theory Descriptors for Ionic Liquids and the Introduction of a Coulomb Correction
Frederik Philippi, Anna Quinten, Daniel Rauber, et al.
Journal of Molecular Modeling
|
October 12, 2018
A structural DFT study of MM, GG, MG, and GM alginic acid disaccharides and reactivity of the MG metallic complexes
Lahcène Bekri, Mourad Zouaoui-Rabah, Michael Springborg, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 29, 2005
Properties of polythiophene and related conjugated polymers: a density-functional study
Abu Md Asaduzzaman, Karla Schmidt-D'Aloisio, Yi Dong, et al.
Molecules (Basel, Switzerland)
|
January 8, 2023
Theoretical Study on Non-Linear Optics Properties of Polycyclic Aromatic Hydrocarbons and the Effect of Their Intercalation with Carbon Nanotubes
Imane Khelladi, Michael Springborg, Ali Rahmouni, et al.
The Journal of Chemical Physics
|
May 27, 2009
Band structures built by the elongation method
Anna Pomogaeva, Michael Springborg, Bernard Kirtman, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 23, 2016
Magnetostructural phase transition assisted by temperature in Ag-αMnO2: a density functional theory study
Francisco Sánchez Ochoa, Zhiwei Huang, Xingfu Tang, et al.
Page
of 5