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Journal of Computational Chemistry
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October 8, 2003
Bond energies for molecules, clusters, and deposit systems
Karl Jug, Gerald Geudtner
Journal of Computational Chemistry
|
February 21, 2025
First Principles Global Optimization Method From Parallel Tempering Molecular Dynamics
Gerald Geudtner, Andreas M Köster
The Journal of Chemical Physics
|
September 11, 2012
Magnetizability tensors from auxiliary density functional theory
Bernardo Zuniga-Gutierrez, Gerald Geudtner, Andreas M Köster
The Journal of Chemical Physics
|
April 5, 2011
NMR shielding tensors from auxiliary density functional theory
Bernardo Zuniga-Gutierrez, Gerald Geudtner, Andreas M Köster
Journal of Chemical Theory and Computation
|
November 27, 2015
First-Principle Calculations of Large Fullerenes
Patrizia Calaminici, Gerald Geudtner, Andreas M Köster
Journal of Computational Chemistry
|
May 15, 2008
Boron-doped diamond: Investigation of the stability of surface-doping versus bulk-doping using cyclic cluster model calculations
Florian Janetzko, Thomas Bredow, Gerald Geudtner, et al.
The Journal of Physical Chemistry. A
|
July 13, 2006
Separation of sigma and pi energies
Andreas M Köster, Patrizia Calaminici, Gerald Geudtner, et al.
The Journal of Physical Chemistry. A
|
November 4, 2008
How important are temperature effects for cluster polarizabilities?
Gabriel U Gamboa, Patrizia Calaminici, Gerald Geudtner, et al.
Journal of Computational Chemistry
|
January 26, 2006
Parallelization of the deMon2k code
Gerald Geudtner, Florian Janetzko, Andreas M Köster, et al.
Molecules (Basel, Switzerland)
|
July 14, 2023
One-Pot Graphene Supported Pt<sub>3</sub>Cu Nanoparticles-From Theory towards an Effective Molecular Oxygen Reduction Reaction Catalyst
Carlos Daniel Galindo-Uribe, Gerald Geudtner, Patrizia Calaminici, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 15) with videos related to
Sort By:
Page
of 2
Journal of Computational Chemistry
|
October 8, 2003
Bond energies for molecules, clusters, and deposit systems
Karl Jug, Gerald Geudtner
Journal of Computational Chemistry
|
February 21, 2025
First Principles Global Optimization Method From Parallel Tempering Molecular Dynamics
Gerald Geudtner, Andreas M Köster
The Journal of Chemical Physics
|
September 11, 2012
Magnetizability tensors from auxiliary density functional theory
Bernardo Zuniga-Gutierrez, Gerald Geudtner, Andreas M Köster
The Journal of Chemical Physics
|
April 5, 2011
NMR shielding tensors from auxiliary density functional theory
Bernardo Zuniga-Gutierrez, Gerald Geudtner, Andreas M Köster
Journal of Chemical Theory and Computation
|
November 27, 2015
First-Principle Calculations of Large Fullerenes
Patrizia Calaminici, Gerald Geudtner, Andreas M Köster
Journal of Computational Chemistry
|
May 15, 2008
Boron-doped diamond: Investigation of the stability of surface-doping versus bulk-doping using cyclic cluster model calculations
Florian Janetzko, Thomas Bredow, Gerald Geudtner, et al.
The Journal of Physical Chemistry. A
|
July 13, 2006
Separation of sigma and pi energies
Andreas M Köster, Patrizia Calaminici, Gerald Geudtner, et al.
The Journal of Physical Chemistry. A
|
November 4, 2008
How important are temperature effects for cluster polarizabilities?
Gabriel U Gamboa, Patrizia Calaminici, Gerald Geudtner, et al.
Journal of Computational Chemistry
|
January 26, 2006
Parallelization of the deMon2k code
Gerald Geudtner, Florian Janetzko, Andreas M Köster, et al.
Molecules (Basel, Switzerland)
|
July 14, 2023
One-Pot Graphene Supported Pt<sub>3</sub>Cu Nanoparticles-From Theory towards an Effective Molecular Oxygen Reduction Reaction Catalyst
Carlos Daniel Galindo-Uribe, Gerald Geudtner, Patrizia Calaminici, et al.
Page
of 2