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The Journal of Chemical Physics
|
May 2, 2008
Is the trend of the polarizability per atom for all small 3d transition metal clusters the same? The case of Nin (n< or =5) clusters
Patrizia Calaminici
The Journal of Chemical Physics
|
May 26, 2007
Assessment of density functional theory optimized basis sets for gradient corrected functionals to transition metal systems: the case of small Nin (n<or=5) clusters
Gregorio López Arvizu, Patrizia Calaminici
Journal of Computational Chemistry
|
October 20, 2025
A Review of Global Optimization Methods for Molecular Structures: Algorithms, Applications and Perspectives
Jorge Alberto Sanchez Alvarez, Patrizia Calaminici
Journal of Chemical Theory and Computation
|
December 3, 2015
Density Functional Static Dipole Polarizability and First-Hyperpolarizability Calculations of Nan (n = 2, 4, 6, 8) Clusters Using an Approximate CPKS Method and its Comparison with MP2 Calculations
K B Sophy, Patrizia Calaminici, Sourav Pal
Journal of Chemical Theory and Computation
|
November 27, 2015
First-Principle Calculations of Large Fullerenes
Patrizia Calaminici, Gerald Geudtner, Andreas M Köster
Journal of Chemical Theory and Computation
|
December 3, 2015
Density Functional Study of the Structure and Properties of Cu9 and Cu9(-)
Patrizia Calaminici, Andreas M Köster, Zeferino Gómez-Sandoval
The Journal of Chemical Physics
|
August 12, 2004
Structures and vibrations of Nb3O and Nb3O-: a density functional study
Patrizia Calaminici, Roberto Flores-Moreno, Andreas M Köster
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.
The Journal of Physical Chemistry. A
|
July 13, 2006
Separation of sigma and pi energies
Andreas M Köster, Patrizia Calaminici, Gerald Geudtner, 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 5
Search research articles
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Showing results (1-10 of 47) with videos related to
Sort By:
Page
of 5
The Journal of Chemical Physics
|
May 2, 2008
Is the trend of the polarizability per atom for all small 3d transition metal clusters the same? The case of Nin (n< or =5) clusters
Patrizia Calaminici
The Journal of Chemical Physics
|
May 26, 2007
Assessment of density functional theory optimized basis sets for gradient corrected functionals to transition metal systems: the case of small Nin (n<or=5) clusters
Gregorio López Arvizu, Patrizia Calaminici
Journal of Computational Chemistry
|
October 20, 2025
A Review of Global Optimization Methods for Molecular Structures: Algorithms, Applications and Perspectives
Jorge Alberto Sanchez Alvarez, Patrizia Calaminici
Journal of Chemical Theory and Computation
|
December 3, 2015
Density Functional Static Dipole Polarizability and First-Hyperpolarizability Calculations of Nan (n = 2, 4, 6, 8) Clusters Using an Approximate CPKS Method and its Comparison with MP2 Calculations
K B Sophy, Patrizia Calaminici, Sourav Pal
Journal of Chemical Theory and Computation
|
November 27, 2015
First-Principle Calculations of Large Fullerenes
Patrizia Calaminici, Gerald Geudtner, Andreas M Köster
Journal of Chemical Theory and Computation
|
December 3, 2015
Density Functional Study of the Structure and Properties of Cu9 and Cu9(-)
Patrizia Calaminici, Andreas M Köster, Zeferino Gómez-Sandoval
The Journal of Chemical Physics
|
August 12, 2004
Structures and vibrations of Nb3O and Nb3O-: a density functional study
Patrizia Calaminici, Roberto Flores-Moreno, Andreas M Köster
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.
The Journal of Physical Chemistry. A
|
July 13, 2006
Separation of sigma and pi energies
Andreas M Köster, Patrizia Calaminici, Gerald Geudtner, 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 5