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The Journal of Chemical Physics
|
July 12, 2023
Designing mechanosensitive molecules from molecular building blocks: A genetic algorithm-based approach
Matthias Blaschke, Fabian Pauly
The Journal of Chemical Physics
|
September 1, 2019
Multipole-based distance-dependent screening of Coulomb integrals
Andreas Irmler, Fabian Pauly
ACS Nano
|
August 31, 2025
Revealing Molecule-Internal Mechanisms that Control Phonon Heat Transport through Single-Molecule Junctions by a Genetic Algorithm
Matthias Blaschke, Fabian Pauly
Dalton Transactions (Cambridge, England : 2003)
|
July 8, 2026
Preservation of the 2<i>H</i>-MoS<sub>2</sub> structure in intercalation compounds with bulky cations
Daniel Friedrich, Eberhard Lukas Flöter, Fabian Pauly
The Journal of Chemical Physics
|
July 9, 2025
Classifying destructive quantum interference in molecular junctions: Toward molecular quantum rulers
Lukas Krieger, Gert-Ludwig Ingold, Fabian Pauly
Journal of Chemical Theory and Computation
|
August 7, 2018
Robust Periodic Fock Exchange with Atom-Centered Gaussian Basis Sets
Andreas Irmler, Asbjörn M Burow, Fabian Pauly
ACS Nano
|
April 22, 2011
Characteristics of amine-ended and thiol-ended alkane single-molecule junctions revealed by inelastic electron tunneling spectroscopy
Youngsang Kim, Thomas Julian Hellmuth, Marius Bürkle, et al.
ACS Applied Materials & Interfaces
|
November 20, 2020
Copper(I)-Based Flexible Organic-Inorganic Coordination Polymer and Analogues: High-Power Factor Thermoelectrics
Guangzong Xing, Yuwei Li, Zhenzhen Feng, et al.
The Journal of Chemical Physics
|
May 10, 2019
Doping hepta-alanine with tryptophan: A theoretical study of its effect on the electrical conductance of peptide-based single-molecule junctions
Werner M Schosser, Linda A Zotti, Juan Carlos Cuevas, et al.
The Journal of Physical Chemistry. A
|
September 23, 2025
Density Functional Theory for Molecular and Periodic Systems in TURBOMOLE: Theory, Implementation, and Applications
Manas Sharma, Yannick J Franzke, Christof Holzer, et al.
Page
of 5
Search research articles
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Showing results (1-10 of 48) with videos related to
Sort By:
Page
of 5
The Journal of Chemical Physics
|
July 12, 2023
Designing mechanosensitive molecules from molecular building blocks: A genetic algorithm-based approach
Matthias Blaschke, Fabian Pauly
The Journal of Chemical Physics
|
September 1, 2019
Multipole-based distance-dependent screening of Coulomb integrals
Andreas Irmler, Fabian Pauly
ACS Nano
|
August 31, 2025
Revealing Molecule-Internal Mechanisms that Control Phonon Heat Transport through Single-Molecule Junctions by a Genetic Algorithm
Matthias Blaschke, Fabian Pauly
Dalton Transactions (Cambridge, England : 2003)
|
July 8, 2026
Preservation of the 2<i>H</i>-MoS<sub>2</sub> structure in intercalation compounds with bulky cations
Daniel Friedrich, Eberhard Lukas Flöter, Fabian Pauly
The Journal of Chemical Physics
|
July 9, 2025
Classifying destructive quantum interference in molecular junctions: Toward molecular quantum rulers
Lukas Krieger, Gert-Ludwig Ingold, Fabian Pauly
Journal of Chemical Theory and Computation
|
August 7, 2018
Robust Periodic Fock Exchange with Atom-Centered Gaussian Basis Sets
Andreas Irmler, Asbjörn M Burow, Fabian Pauly
ACS Nano
|
April 22, 2011
Characteristics of amine-ended and thiol-ended alkane single-molecule junctions revealed by inelastic electron tunneling spectroscopy
Youngsang Kim, Thomas Julian Hellmuth, Marius Bürkle, et al.
ACS Applied Materials & Interfaces
|
November 20, 2020
Copper(I)-Based Flexible Organic-Inorganic Coordination Polymer and Analogues: High-Power Factor Thermoelectrics
Guangzong Xing, Yuwei Li, Zhenzhen Feng, et al.
The Journal of Chemical Physics
|
May 10, 2019
Doping hepta-alanine with tryptophan: A theoretical study of its effect on the electrical conductance of peptide-based single-molecule junctions
Werner M Schosser, Linda A Zotti, Juan Carlos Cuevas, et al.
The Journal of Physical Chemistry. A
|
September 23, 2025
Density Functional Theory for Molecular and Periodic Systems in TURBOMOLE: Theory, Implementation, and Applications
Manas Sharma, Yannick J Franzke, Christof Holzer, et al.
Page
of 5