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The Journal of Physical Chemistry. A
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December 18, 2015
Configuration-Space Sampling in Potential Energy Surface Fitting: A Space-Reduced Bond-Order Grid Approach
Sergio Rampino
Molecules (Basel, Switzerland)
|
November 13, 2021
Charge-Flow Profiles along Curvilinear Paths: A Flexible Scheme for the Analysis of Charge Displacement upon Intermolecular Interactions
Luca Sagresti, Sergio Rampino
The Journal of Physical Chemistry. A
|
December 10, 2016
Thermal Rate Coefficients for the Astrochemical Process C + CH<sup>+</sup> → C<sub>2</sub><sup>+</sup> + H by Ring Polymer Molecular Dynamics
Sergio Rampino, Yury V Suleimanov
The Journal of Chemical Physics
|
July 17, 2015
Gold-superheavy-element interaction in diatomics and cluster adducts: A combined four-component Dirac-Kohn-Sham/charge-displacement study
Sergio Rampino, Loriano Storchi, Leonardo Belpassi
Molecules (Basel, Switzerland)
|
April 30, 2021
Stochastic Modelling of <sup>13</sup>C NMR Spin Relaxation Experiments in Oligosaccharides
Sergio Rampino, Mirco Zerbetto, Antonino Polimeno
Journal of Chemical Theory and Computation
|
June 28, 2019
Potential-Energy Surfaces for Ring-Puckering Motions of Flexible Cyclic Molecules through Cremer-Pople Coordinates: Computation, Analysis, and Fitting
Lorenzo Paoloni, Sergio Rampino, Vincenzo Barone
Physical Chemistry Chemical Physics : PCCP
|
May 17, 2023
The roto-conformational diffusion tensor as a tool to interpret molecular flexibility
Sergio Rampino, Mirco Zerbetto, Antonino Polimeno
Journal of Chemical Theory and Computation
|
January 2, 2026
Predicting NMR Relaxation Using a First-Principles Brownian Dynamics Approach
Mirco Zerbetto, Sergio Rampino, Antonino Polimeno
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 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.
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Search research articles
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Showing results (1-10 of 33) with videos related to
Sort By:
Page
of 4
The Journal of Physical Chemistry. A
|
December 18, 2015
Configuration-Space Sampling in Potential Energy Surface Fitting: A Space-Reduced Bond-Order Grid Approach
Sergio Rampino
Molecules (Basel, Switzerland)
|
November 13, 2021
Charge-Flow Profiles along Curvilinear Paths: A Flexible Scheme for the Analysis of Charge Displacement upon Intermolecular Interactions
Luca Sagresti, Sergio Rampino
The Journal of Physical Chemistry. A
|
December 10, 2016
Thermal Rate Coefficients for the Astrochemical Process C + CH<sup>+</sup> → C<sub>2</sub><sup>+</sup> + H by Ring Polymer Molecular Dynamics
Sergio Rampino, Yury V Suleimanov
The Journal of Chemical Physics
|
July 17, 2015
Gold-superheavy-element interaction in diatomics and cluster adducts: A combined four-component Dirac-Kohn-Sham/charge-displacement study
Sergio Rampino, Loriano Storchi, Leonardo Belpassi
Molecules (Basel, Switzerland)
|
April 30, 2021
Stochastic Modelling of <sup>13</sup>C NMR Spin Relaxation Experiments in Oligosaccharides
Sergio Rampino, Mirco Zerbetto, Antonino Polimeno
Journal of Chemical Theory and Computation
|
June 28, 2019
Potential-Energy Surfaces for Ring-Puckering Motions of Flexible Cyclic Molecules through Cremer-Pople Coordinates: Computation, Analysis, and Fitting
Lorenzo Paoloni, Sergio Rampino, Vincenzo Barone
Physical Chemistry Chemical Physics : PCCP
|
May 17, 2023
The roto-conformational diffusion tensor as a tool to interpret molecular flexibility
Sergio Rampino, Mirco Zerbetto, Antonino Polimeno
Journal of Chemical Theory and Computation
|
January 2, 2026
Predicting NMR Relaxation Using a First-Principles Brownian Dynamics Approach
Mirco Zerbetto, Sergio Rampino, Antonino Polimeno
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 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.
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of 4