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Journal of the American Chemical Society
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December 29, 2007
The chemical bond between Au(I) and the noble gases. Comparative study of NgAuF and NgAu+ (Ng = Ar, Kr, Xe) by density functional and coupled cluster methods
Leonardo Belpassi, Ivan Infante, Francesco Tarantelli, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
Full Parallel Implementation of an All-Electron Four-Component Dirac-Kohn-Sham Program
Sergio Rampino, Leonardo Belpassi, Francesco Tarantelli, et al.
The Journal of Physical Chemistry. A
|
October 31, 2013
Intermolecular interaction in the NH3-H2 and H2O-H2 complexes by molecular beam scattering experiments: the role of charge transfer
Fernando Pirani, David Cappelletti, Leonardo Belpassi, et al.
The Journal of Chemical Physics
|
March 2, 2015
Charge-displacement analysis via natural orbitals for chemical valence: charge transfer effects in coordination chemistry
Giovanni Bistoni, Sergio Rampino, Francesco Tarantelli, et al.
The Journal of Physical Chemistry. A
|
March 31, 2006
The electronic structure of alkali aurides. A four-component Dirac-Kohn-Sham study
Leonardo Belpassi, Francesco Tarantelli, Antonio Sgamellotti, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 15, 2011
Recent advances and perspectives in four-component Dirac-Kohn-Sham calculations
Leonardo Belpassi, Loriano Storchi, Harry M Quiney, et al.
The Journal of Chemical Physics
|
May 28, 2005
Computational strategies for a four-component Dirac-Kohn-Sham program: implementation and first applications
Leonardo Belpassi, Francesco Tarantelli, Antonio Sgamellotti, et al.
The Journal of Chemical Physics
|
April 8, 2006
Electron density fitting for the Coulomb problem in relativistic density-functional theory
Leonardo Belpassi, Francesco Tarantelli, Antonio Sgamellotti, et al.
The Journal of Chemical Physics
|
April 2, 2008
Poisson-transformed density fitting in relativistic four-component Dirac-Kohn-Sham theory
Leonardo Belpassi, Francesco Tarantelli, Antonio Sgamellotti, et al.
Chemical Communications (Cambridge, England)
|
January 21, 2017
The gold(iii)-CO bond: a missing piece in the gold carbonyl complex landscape
Carlo Alberto Gaggioli, Leonardo Belpassi, Francesco Tarantelli, et al.
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of 7
Search research articles
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Showing results (11-20 of 69) with videos related to
Sort By:
Page
of 7
Journal of the American Chemical Society
|
December 29, 2007
The chemical bond between Au(I) and the noble gases. Comparative study of NgAuF and NgAu+ (Ng = Ar, Kr, Xe) by density functional and coupled cluster methods
Leonardo Belpassi, Ivan Infante, Francesco Tarantelli, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
Full Parallel Implementation of an All-Electron Four-Component Dirac-Kohn-Sham Program
Sergio Rampino, Leonardo Belpassi, Francesco Tarantelli, et al.
The Journal of Physical Chemistry. A
|
October 31, 2013
Intermolecular interaction in the NH3-H2 and H2O-H2 complexes by molecular beam scattering experiments: the role of charge transfer
Fernando Pirani, David Cappelletti, Leonardo Belpassi, et al.
The Journal of Chemical Physics
|
March 2, 2015
Charge-displacement analysis via natural orbitals for chemical valence: charge transfer effects in coordination chemistry
Giovanni Bistoni, Sergio Rampino, Francesco Tarantelli, et al.
The Journal of Physical Chemistry. A
|
March 31, 2006
The electronic structure of alkali aurides. A four-component Dirac-Kohn-Sham study
Leonardo Belpassi, Francesco Tarantelli, Antonio Sgamellotti, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 15, 2011
Recent advances and perspectives in four-component Dirac-Kohn-Sham calculations
Leonardo Belpassi, Loriano Storchi, Harry M Quiney, et al.
The Journal of Chemical Physics
|
May 28, 2005
Computational strategies for a four-component Dirac-Kohn-Sham program: implementation and first applications
Leonardo Belpassi, Francesco Tarantelli, Antonio Sgamellotti, et al.
The Journal of Chemical Physics
|
April 8, 2006
Electron density fitting for the Coulomb problem in relativistic density-functional theory
Leonardo Belpassi, Francesco Tarantelli, Antonio Sgamellotti, et al.
The Journal of Chemical Physics
|
April 2, 2008
Poisson-transformed density fitting in relativistic four-component Dirac-Kohn-Sham theory
Leonardo Belpassi, Francesco Tarantelli, Antonio Sgamellotti, et al.
Chemical Communications (Cambridge, England)
|
January 21, 2017
The gold(iii)-CO bond: a missing piece in the gold carbonyl complex landscape
Carlo Alberto Gaggioli, Leonardo Belpassi, Francesco Tarantelli, et al.
Page
of 7