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Journal of Computational Chemistry
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January 28, 2017
Automated first-principles mapping for phase-change materials
Marc Esser, Stefan Maintz, Richard Dronskowski
Journal of the American Chemical Society
|
March 14, 2022
Existence of BeCN<sub>2</sub> and Its First-Principles Phase Diagram: Be and C Introducing Structural Diversity
Dongbao Luo, Ketao Yin, Richard Dronskowski
The Journal of Chemical Physics
|
February 23, 2026
Corresponding orbitals in periodic frozen-density embedding: The case of alkaline-earth subnitrides, Ae2N, by the example of Ba2N
David Hemker, Olaf Reckeweg, Richard Dronskowski
The Journal of Physical Chemistry. A
|
July 31, 2023
Embedded Localized Molecular-Orbital Representations for Periodic Wave Functions
Mike Pauls, David Schnieders, Richard Dronskowski
Angewandte Chemie (International Ed. in English)
|
October 1, 2020
Predicting Nitrogen-Based Families of Compounds: Transition-Metal Guanidinates TCN<sub>3</sub> (T=V, Nb, Ta) and Ortho-Nitrido Carbonates T'<sub>2</sub> CN<sub>4</sub> (T'=Ti, Zr, Hf)
Dongbao Luo, Xianji Qiao, Richard Dronskowski
Journal of Computational Chemistry
|
May 21, 2021
Solid-state quantum chemistry with ΘΦ (ThetaPhi): Spin-liquids, superconductors, and magnetic superstructures made computationally available
Andrei Tchougréeff, Evgeny Plekhanov, Richard Dronskowski
Inorganic Chemistry
|
August 29, 2017
Revisiting the Si-Te System: SiTe<sub>2</sub> Finally Found by Means of Experimental and Quantum-Chemical Techniques
Kai C Göbgen, Simon Steinberg, Richard Dronskowski
Journal of Computational Chemistry
|
August 27, 2010
A density-functional study of the phase diagram of cementite-type (Fe,Mn)3C at absolute zero temperature
Jörg Von Appen, Bernhard Eck, Richard Dronskowski
The Journal of Physical Chemistry. A
|
September 22, 2017
First-Principles Chemical Bonding Study of Manganese Carbodiimide, MnNCN, As Compared to Manganese Oxide, MnO
Ryky Nelson, Philipp M Konze, Richard Dronskowski
Biomacromolecules
|
February 2, 2016
Nature, Strength, and Cooperativity of the Hydrogen-Bonding Network in α-Chitin
Volker L Deringer, Ulli Englert, Richard Dronskowski
Page
of 21
Search research articles
Search
Showing results (31-40 of 205) with videos related to
Sort By:
Page
of 21
Journal of Computational Chemistry
|
January 28, 2017
Automated first-principles mapping for phase-change materials
Marc Esser, Stefan Maintz, Richard Dronskowski
Journal of the American Chemical Society
|
March 14, 2022
Existence of BeCN<sub>2</sub> and Its First-Principles Phase Diagram: Be and C Introducing Structural Diversity
Dongbao Luo, Ketao Yin, Richard Dronskowski
The Journal of Chemical Physics
|
February 23, 2026
Corresponding orbitals in periodic frozen-density embedding: The case of alkaline-earth subnitrides, Ae2N, by the example of Ba2N
David Hemker, Olaf Reckeweg, Richard Dronskowski
The Journal of Physical Chemistry. A
|
July 31, 2023
Embedded Localized Molecular-Orbital Representations for Periodic Wave Functions
Mike Pauls, David Schnieders, Richard Dronskowski
Angewandte Chemie (International Ed. in English)
|
October 1, 2020
Predicting Nitrogen-Based Families of Compounds: Transition-Metal Guanidinates TCN<sub>3</sub> (T=V, Nb, Ta) and Ortho-Nitrido Carbonates T'<sub>2</sub> CN<sub>4</sub> (T'=Ti, Zr, Hf)
Dongbao Luo, Xianji Qiao, Richard Dronskowski
Journal of Computational Chemistry
|
May 21, 2021
Solid-state quantum chemistry with ΘΦ (ThetaPhi): Spin-liquids, superconductors, and magnetic superstructures made computationally available
Andrei Tchougréeff, Evgeny Plekhanov, Richard Dronskowski
Inorganic Chemistry
|
August 29, 2017
Revisiting the Si-Te System: SiTe<sub>2</sub> Finally Found by Means of Experimental and Quantum-Chemical Techniques
Kai C Göbgen, Simon Steinberg, Richard Dronskowski
Journal of Computational Chemistry
|
August 27, 2010
A density-functional study of the phase diagram of cementite-type (Fe,Mn)3C at absolute zero temperature
Jörg Von Appen, Bernhard Eck, Richard Dronskowski
The Journal of Physical Chemistry. A
|
September 22, 2017
First-Principles Chemical Bonding Study of Manganese Carbodiimide, MnNCN, As Compared to Manganese Oxide, MnO
Ryky Nelson, Philipp M Konze, Richard Dronskowski
Biomacromolecules
|
February 2, 2016
Nature, Strength, and Cooperativity of the Hydrogen-Bonding Network in α-Chitin
Volker L Deringer, Ulli Englert, Richard Dronskowski
Page
of 21