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The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
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March 20, 2024
Reductive Dechlorination of Chlorinated Ethenes at the Sulfidated Zero-Valent Iron Surface: A Mechanistic DFT Study
Miroslav Brumovský, Daniel Tunega
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
November 8, 2023
Intrinsic Effects of Sulfidation on the Reactivity of Zero-Valent Iron With Trichloroethene: A DFT Study
Miroslav Brumovský, Daniel Tunega
Journal of Computational Chemistry
|
July 28, 2010
Understanding of bonding and mechanical characteristics of cementitious mineral tobermorite from first principles
Daniel Tunega, Ali Zaoui
Langmuir : the ACS Journal of Surfaces and Colloids
|
October 9, 2025
Mechanism of Increased Retention of Atomic Hydrogen on Moderately Sulfidated Zero-Valent Iron Surfaces
Miroslav Brumovský, Daniel Tunega
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
April 11, 2020
Mechanical and Bonding Behaviors Behind the Bending Mechanism of Kaolinite Clay Layers
Daniel Tunega, Ali Zaoui
The Journal of Chemical Physics
|
September 25, 2012
Assessment of ten DFT methods in predicting structures of sheet silicates: importance of dispersion corrections
Daniel Tunega, Tomáš Bučko, Ali Zaoui
Physical Chemistry Chemical Physics : PCCP
|
October 8, 2020
A theoretical study of adsorption on iron sulfides towards nanoparticle modeling
Miroslav Kolos, Daniel Tunega, František Karlický
Journal of Computational Chemistry
|
January 28, 2025
Theoretical Study on Adsorption of Halogenated Benzenes on Montmorillonites Modified With M(I)/M(II) Cations
Daniel Tunega, Martin H Gerzabek, Leonard Böhm
Acta Crystallographica. Section B, Structural Science
|
November 25, 2005
Second-degree twinning and dynamic disorder in the crystal structure of deca-dodecasil 3R
Vratislav Langer, Lubomír Smrcok, Daniel Tunega, et al.
The Journal of Physical Chemistry. A
|
August 2, 2011
Ab initio study of structure and interconversion of native cellulose phases
Tomás Bucko, Daniel Tunega, János G Angyán, et al.
Page
of 4
Search research articles
Search
Showing results (1-10 of 39) with videos related to
Sort By:
Page
of 4
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
March 20, 2024
Reductive Dechlorination of Chlorinated Ethenes at the Sulfidated Zero-Valent Iron Surface: A Mechanistic DFT Study
Miroslav Brumovský, Daniel Tunega
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
November 8, 2023
Intrinsic Effects of Sulfidation on the Reactivity of Zero-Valent Iron With Trichloroethene: A DFT Study
Miroslav Brumovský, Daniel Tunega
Journal of Computational Chemistry
|
July 28, 2010
Understanding of bonding and mechanical characteristics of cementitious mineral tobermorite from first principles
Daniel Tunega, Ali Zaoui
Langmuir : the ACS Journal of Surfaces and Colloids
|
October 9, 2025
Mechanism of Increased Retention of Atomic Hydrogen on Moderately Sulfidated Zero-Valent Iron Surfaces
Miroslav Brumovský, Daniel Tunega
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
April 11, 2020
Mechanical and Bonding Behaviors Behind the Bending Mechanism of Kaolinite Clay Layers
Daniel Tunega, Ali Zaoui
The Journal of Chemical Physics
|
September 25, 2012
Assessment of ten DFT methods in predicting structures of sheet silicates: importance of dispersion corrections
Daniel Tunega, Tomáš Bučko, Ali Zaoui
Physical Chemistry Chemical Physics : PCCP
|
October 8, 2020
A theoretical study of adsorption on iron sulfides towards nanoparticle modeling
Miroslav Kolos, Daniel Tunega, František Karlický
Journal of Computational Chemistry
|
January 28, 2025
Theoretical Study on Adsorption of Halogenated Benzenes on Montmorillonites Modified With M(I)/M(II) Cations
Daniel Tunega, Martin H Gerzabek, Leonard Böhm
Acta Crystallographica. Section B, Structural Science
|
November 25, 2005
Second-degree twinning and dynamic disorder in the crystal structure of deca-dodecasil 3R
Vratislav Langer, Lubomír Smrcok, Daniel Tunega, et al.
The Journal of Physical Chemistry. A
|
August 2, 2011
Ab initio study of structure and interconversion of native cellulose phases
Tomás Bucko, Daniel Tunega, János G Angyán, et al.
Page
of 4