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The Journal of Chemical Physics
|
August 10, 2018
Accurate embedding through potential reconstruction: A comparison of different strategies
David Schnieders, Johannes Neugebauer
The Journal of Physical Chemistry. A
|
July 31, 2023
Embedded Localized Molecular-Orbital Representations for Periodic Wave Functions
Mike Pauls, David Schnieders, Richard Dronskowski
Inorganic Chemistry
|
November 7, 2024
Structure, Synthetic Pathway, and Properties of Metastable Phosphorus Carbide, P<sub>4</sub>C<sub>3</sub>
Da Chen, YiXu Wang, David Schnieders, et al.
Journal of Computational Chemistry
|
January 12, 2018
Serenity: A subsystem quantum chemistry program
Jan P Unsleber, Thomas Dresselhaus, Kevin Klahr, et al.
Inorganic Chemistry
|
April 20, 2023
Structural Transformation in LnHS (Ln = La, Nd, Gd, and Er) with Coordination Change between an S-Centered Octahedron and a Trigonal Prism
Hiroki Ubukata, Daichi Kato, Shougo Kitade, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
August 8, 2007
Structural, kinetic, and theoretical studies on models of the zinc-containing phosphodiesterase active center: medium-dependent reaction mechanisms
Katalin Selmeczi, Carine Michel, Anne Milet, et al.
Journal of Computational Chemistry
|
January 5, 2023
On the atomistic origin of the polymorphism and the dielectric physical properties of beryllium oxide
Linda S Reitz, Peter C Müller, David Schnieders, et al.
Inorganic Chemistry
|
August 29, 2019
Metal Hydride Vibrations: The Trans Effect of the Hydride
David Schnieders, Brian T H Tsui, Molly M H Sung, et al.
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Search research articles
Search
Showing results (1-10 of 8) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
August 10, 2018
Accurate embedding through potential reconstruction: A comparison of different strategies
David Schnieders, Johannes Neugebauer
The Journal of Physical Chemistry. A
|
July 31, 2023
Embedded Localized Molecular-Orbital Representations for Periodic Wave Functions
Mike Pauls, David Schnieders, Richard Dronskowski
Inorganic Chemistry
|
November 7, 2024
Structure, Synthetic Pathway, and Properties of Metastable Phosphorus Carbide, P<sub>4</sub>C<sub>3</sub>
Da Chen, YiXu Wang, David Schnieders, et al.
Journal of Computational Chemistry
|
January 12, 2018
Serenity: A subsystem quantum chemistry program
Jan P Unsleber, Thomas Dresselhaus, Kevin Klahr, et al.
Inorganic Chemistry
|
April 20, 2023
Structural Transformation in LnHS (Ln = La, Nd, Gd, and Er) with Coordination Change between an S-Centered Octahedron and a Trigonal Prism
Hiroki Ubukata, Daichi Kato, Shougo Kitade, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
August 8, 2007
Structural, kinetic, and theoretical studies on models of the zinc-containing phosphodiesterase active center: medium-dependent reaction mechanisms
Katalin Selmeczi, Carine Michel, Anne Milet, et al.
Journal of Computational Chemistry
|
January 5, 2023
On the atomistic origin of the polymorphism and the dielectric physical properties of beryllium oxide
Linda S Reitz, Peter C Müller, David Schnieders, et al.
Inorganic Chemistry
|
August 29, 2019
Metal Hydride Vibrations: The Trans Effect of the Hydride
David Schnieders, Brian T H Tsui, Molly M H Sung, et al.
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of 1