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The Journal of Chemical Physics
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July 23, 2004
High pressure reactivity of propene by first principles molecular dynamics calculations
Martina Mugnai, Gianni Cardini, Vincenzo Schettino
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|
November 14, 2015
Simulations in generalized ensembles through noninstantaneous switches
Edoardo Giovannelli, Gianni Cardini, Riccardo Chelli
The Journal of Physical Chemistry. B
|
July 21, 2006
Solvation dynamics of Li+ and Cl- ions in liquid methanol
Marco Pagliai, Gianni Cardini, Vincenzo Schettino
Journal of Chemical Theory and Computation
|
January 16, 2016
Elastic Barrier Dynamical Freezing in Free Energy Calculations: A Way To Speed Up Nonequilibrium Molecular Dynamics Simulations by Orders of Magnitude
Edoardo Giovannelli, Gianni Cardini, Riccardo Chelli
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
Physical Chemistry Chemical Physics : PCCP
|
July 20, 2007
Ab initio molecular dynamics study of the hydrolysis reaction of diborane
Elisa Di Pietro, Gianni Cardini, Vincenzo Schettino
Journal of Chemical Theory and Computation
|
December 2, 2015
Ab Initio Molecular Dynamics Study of Mg(2+) and Ca(2+) Ions in Liquid Methanol
Cristian Faralli, Marco Pagliai, Gianni Cardini, et al.
The Journal of Physical Chemistry. A
|
March 5, 2016
XP-PCM Calculations of High Pressure Structural and Vibrational Properties of P4S3
Marco Pagliai, Roberto Cammi, Gianni Cardini, et al.
Journal of Chemical Theory and Computation
|
December 2, 2015
Mechanism of the Ethylene Polymerization at Very High Pressure
Martina Mugnai, Marco Pagliai, Gianni Cardini, et al.
The Journal of Physical Chemistry Letters
|
October 5, 2019
Evidence of a Low-High Density Turning Point in Liquid Water at Ordinary Temperature under Pressure: A Molecular Dynamics Study
Marco Pagliai, Marina Macchiagodena, Piero Procacci, et al.
Page
of 5
Search research articles
Search
Showing results (1-10 of 44) with videos related to
Sort By:
Page
of 5
The Journal of Chemical Physics
|
July 23, 2004
High pressure reactivity of propene by first principles molecular dynamics calculations
Martina Mugnai, Gianni Cardini, Vincenzo Schettino
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|
November 14, 2015
Simulations in generalized ensembles through noninstantaneous switches
Edoardo Giovannelli, Gianni Cardini, Riccardo Chelli
The Journal of Physical Chemistry. B
|
July 21, 2006
Solvation dynamics of Li+ and Cl- ions in liquid methanol
Marco Pagliai, Gianni Cardini, Vincenzo Schettino
Journal of Chemical Theory and Computation
|
January 16, 2016
Elastic Barrier Dynamical Freezing in Free Energy Calculations: A Way To Speed Up Nonequilibrium Molecular Dynamics Simulations by Orders of Magnitude
Edoardo Giovannelli, Gianni Cardini, Riccardo Chelli
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
Physical Chemistry Chemical Physics : PCCP
|
July 20, 2007
Ab initio molecular dynamics study of the hydrolysis reaction of diborane
Elisa Di Pietro, Gianni Cardini, Vincenzo Schettino
Journal of Chemical Theory and Computation
|
December 2, 2015
Ab Initio Molecular Dynamics Study of Mg(2+) and Ca(2+) Ions in Liquid Methanol
Cristian Faralli, Marco Pagliai, Gianni Cardini, et al.
The Journal of Physical Chemistry. A
|
March 5, 2016
XP-PCM Calculations of High Pressure Structural and Vibrational Properties of P4S3
Marco Pagliai, Roberto Cammi, Gianni Cardini, et al.
Journal of Chemical Theory and Computation
|
December 2, 2015
Mechanism of the Ethylene Polymerization at Very High Pressure
Martina Mugnai, Marco Pagliai, Gianni Cardini, et al.
The Journal of Physical Chemistry Letters
|
October 5, 2019
Evidence of a Low-High Density Turning Point in Liquid Water at Ordinary Temperature under Pressure: A Molecular Dynamics Study
Marco Pagliai, Marina Macchiagodena, Piero Procacci, et al.
Page
of 5