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The Journal of Chemical Physics
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February 18, 2014
Electronic excitation spectra of molecules in solution calculated using the symmetry-adapted cluster-configuration interaction method in the polarizable continuum model with perturbative approach
Ryoichi Fukuda, Masahiro Ehara, Roberto Cammi
Chemical Science
|
June 24, 2021
Relating atomic energy, radius and electronegativity through compression
Martin Rahm, Paul Erhart, Roberto Cammi
The Journal of Physical Chemistry. A
|
June 18, 2014
Vibrational frequencies of fullerenes C60 and C70 under pressure studied with a quantum chemical model including spatial confinement effects
Marco Pagliai, Gianni Cardini, Roberto Cammi
The Journal of Physical Chemistry. A
|
December 9, 2014
Equation of motion for the solvent polarization apparent charges in the polarizable continuum model: application to real-time TDDFT
Stefano Corni, Silvio Pipolo, Roberto Cammi
Angewandte Chemie (International Ed. in English)
|
July 25, 2017
The Effect of Pressure on Organic Reactions in Fluids-a New Theoretical Perspective
Bo Chen, Roald Hoffmann, Roberto Cammi
The Journal of Chemical Physics
|
February 17, 2017
Equation of motion for the solvent polarization apparent charges in the polarizable continuum model: Application to time-dependent CI
Silvio Pipolo, Stefano Corni, Roberto Cammi
Organic & Biomolecular Chemistry
|
June 8, 2011
Absolute stereochemistry and preferred conformations of urate degradation intermediates from computed and experimental circular dichroism spectra
Silvio Pipolo, Riccardo Percudani, Roberto Cammi
The Journal of Chemical Physics
|
May 3, 2014
The cavity electromagnetic field within the polarizable continuum model of solvation
Silvio Pipolo, Stefano Corni, Roberto Cammi
Journal of Computational Chemistry
|
September 23, 2018
Analytical calculation of pressure for confined atomic and molecular systems using the eXtreme-Pressure Polarizable Continuum Model
Roberto Cammi, Bo Chen, Martin Rahm
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
March 14, 2022
High-Pressure Reaction Profiles and Activation Volumes of 1,3-Cyclohexadiene Dimerizations Computed by the Extreme Pressure-Polarizable Continuum Model (XP-PCM)
Bo Chen, K N Houk, Roberto Cammi
Page
of 6
Search research articles
Search
Showing results (11-20 of 57) with videos related to
Sort By:
Page
of 6
The Journal of Chemical Physics
|
February 18, 2014
Electronic excitation spectra of molecules in solution calculated using the symmetry-adapted cluster-configuration interaction method in the polarizable continuum model with perturbative approach
Ryoichi Fukuda, Masahiro Ehara, Roberto Cammi
Chemical Science
|
June 24, 2021
Relating atomic energy, radius and electronegativity through compression
Martin Rahm, Paul Erhart, Roberto Cammi
The Journal of Physical Chemistry. A
|
June 18, 2014
Vibrational frequencies of fullerenes C60 and C70 under pressure studied with a quantum chemical model including spatial confinement effects
Marco Pagliai, Gianni Cardini, Roberto Cammi
The Journal of Physical Chemistry. A
|
December 9, 2014
Equation of motion for the solvent polarization apparent charges in the polarizable continuum model: application to real-time TDDFT
Stefano Corni, Silvio Pipolo, Roberto Cammi
Angewandte Chemie (International Ed. in English)
|
July 25, 2017
The Effect of Pressure on Organic Reactions in Fluids-a New Theoretical Perspective
Bo Chen, Roald Hoffmann, Roberto Cammi
The Journal of Chemical Physics
|
February 17, 2017
Equation of motion for the solvent polarization apparent charges in the polarizable continuum model: Application to time-dependent CI
Silvio Pipolo, Stefano Corni, Roberto Cammi
Organic & Biomolecular Chemistry
|
June 8, 2011
Absolute stereochemistry and preferred conformations of urate degradation intermediates from computed and experimental circular dichroism spectra
Silvio Pipolo, Riccardo Percudani, Roberto Cammi
The Journal of Chemical Physics
|
May 3, 2014
The cavity electromagnetic field within the polarizable continuum model of solvation
Silvio Pipolo, Stefano Corni, Roberto Cammi
Journal of Computational Chemistry
|
September 23, 2018
Analytical calculation of pressure for confined atomic and molecular systems using the eXtreme-Pressure Polarizable Continuum Model
Roberto Cammi, Bo Chen, Martin Rahm
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
March 14, 2022
High-Pressure Reaction Profiles and Activation Volumes of 1,3-Cyclohexadiene Dimerizations Computed by the Extreme Pressure-Polarizable Continuum Model (XP-PCM)
Bo Chen, K N Houk, Roberto Cammi
Page
of 6