Search research articles
Contact Us
Filters
Showing results (1-10 of 74) with videos related to
Page
of 8
Sort By:
Journal of Chemical Theory and Computation
|
November 25, 2015
On the Importance of the Orbital Relaxation in Ground-State Coupled Cluster Calculations in Solution with the Polarizable Continuum Model of Solvation
Marco Caricato, Giovanni Scalmani
The Journal of Chemical Physics
|
March 25, 2011
Comment on "A smooth, nonsingular, and faithful discretization scheme for polarizable continuum models: the switching/gaussian approach" [J. Chem. Phys. 133, 244111 (2010)]
Giovanni Scalmani, Michael J Frisch
Journal of Chemical Theory and Computation
|
November 22, 2015
A New Approach to Noncollinear Spin Density Functional Theory beyond the Local Density Approximation
Giovanni Scalmani, Michael J Frisch
The Journal of Chemical Physics
|
March 25, 2010
Continuous surface charge polarizable continuum models of solvation. I. General formalism
Giovanni Scalmani, Michael J Frisch
Journal of Chemical Theory and Computation
|
November 16, 2017
Accurate Excited-State Geometries: A CASPT2 and Coupled-Cluster Reference Database for Small Molecules
Šimon Budzák, Giovanni Scalmani, Denis Jacquemin
Journal of Chemical Theory and Computation
|
November 20, 2015
Computational Spectroscopy of Large Systems in Solution: The DFTB/PCM and TD-DFTB/PCM Approach
Vincenzo Barone, Ivan Carnimeo, Giovanni Scalmani
Physical Chemistry Chemical Physics : PCCP
|
December 22, 2009
Non covalent interactions in RNA and DNA base pairs: a quantum-mechanical study of the coupling between solvent and electronic density
Filippo Lipparini, Giovanni Scalmani, Benedetta Mennucci
Journal of Chemical Theory and Computation
|
November 19, 2015
Excited-State Vibrations of Solvated Molecules: Going Beyond the Linear-Response Polarizable Continuum Model
Benedetta Mennucci, Giovanni Scalmani, Denis Jacquemin
The Journal of Chemical Physics
|
July 5, 2011
Brueckner doubles coupled cluster method with the polarizable continuum model of solvation
Marco Caricato, Giovanni Scalmani, Michael J Frisch
Journal of Computational Chemistry
|
March 23, 2002
Quantum mechanical study of the conformational behavior of proline and 4R-hydroxyproline dipeptide analogues in vacuum and in aqueous solution
Caterina Benzi, Roberto Improta, Giovanni Scalmani, et al.
Page
of 8
Search research articles
Search
Showing results (1-10 of 74) with videos related to
Sort By:
Page
of 8
Journal of Chemical Theory and Computation
|
November 25, 2015
On the Importance of the Orbital Relaxation in Ground-State Coupled Cluster Calculations in Solution with the Polarizable Continuum Model of Solvation
Marco Caricato, Giovanni Scalmani
The Journal of Chemical Physics
|
March 25, 2011
Comment on "A smooth, nonsingular, and faithful discretization scheme for polarizable continuum models: the switching/gaussian approach" [J. Chem. Phys. 133, 244111 (2010)]
Giovanni Scalmani, Michael J Frisch
Journal of Chemical Theory and Computation
|
November 22, 2015
A New Approach to Noncollinear Spin Density Functional Theory beyond the Local Density Approximation
Giovanni Scalmani, Michael J Frisch
The Journal of Chemical Physics
|
March 25, 2010
Continuous surface charge polarizable continuum models of solvation. I. General formalism
Giovanni Scalmani, Michael J Frisch
Journal of Chemical Theory and Computation
|
November 16, 2017
Accurate Excited-State Geometries: A CASPT2 and Coupled-Cluster Reference Database for Small Molecules
Šimon Budzák, Giovanni Scalmani, Denis Jacquemin
Journal of Chemical Theory and Computation
|
November 20, 2015
Computational Spectroscopy of Large Systems in Solution: The DFTB/PCM and TD-DFTB/PCM Approach
Vincenzo Barone, Ivan Carnimeo, Giovanni Scalmani
Physical Chemistry Chemical Physics : PCCP
|
December 22, 2009
Non covalent interactions in RNA and DNA base pairs: a quantum-mechanical study of the coupling between solvent and electronic density
Filippo Lipparini, Giovanni Scalmani, Benedetta Mennucci
Journal of Chemical Theory and Computation
|
November 19, 2015
Excited-State Vibrations of Solvated Molecules: Going Beyond the Linear-Response Polarizable Continuum Model
Benedetta Mennucci, Giovanni Scalmani, Denis Jacquemin
The Journal of Chemical Physics
|
July 5, 2011
Brueckner doubles coupled cluster method with the polarizable continuum model of solvation
Marco Caricato, Giovanni Scalmani, Michael J Frisch
Journal of Computational Chemistry
|
March 23, 2002
Quantum mechanical study of the conformational behavior of proline and 4R-hydroxyproline dipeptide analogues in vacuum and in aqueous solution
Caterina Benzi, Roberto Improta, Giovanni Scalmani, et al.
Page
of 8