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Journal of Chemical Theory and Computation
|
August 1, 2017
Hybrid QM/MM Molecular Dynamics with AMOEBA Polarizable Embedding
Daniele Loco, Louis Lagardère, Stefano Caprasecca, et al.
Journal of Computational Chemistry
|
January 11, 2025
Extending the MST Model to Large Biomolecular Systems: Parametrization of the ddCOSMO-MST Continuum Solvation Model
R D Cunha, S Romero-Téllez, F Lipparini, et al.
The Journal of Physical Chemistry. A
|
October 27, 2023
Assessing Implicit and Explicit Polarizable Solvation Models for Nuclear-Electronic Orbital Systems: Quantum Proton Polarization and Solvation Energetics
Eleftherios Lambros, Benjamin Link, Mathew Chow, et al.
Journal of the American Chemical Society
|
March 12, 2024
Unraveling Water Solvation Effects with Quantum Mechanics/Molecular Mechanics Semiclassical Vibrational Spectroscopy: The Case of Thymidine
Davide Moscato, Giacomo Mandelli, Mattia Bondanza, et al.
The Journal of Physical Chemistry. A
|
August 20, 2019
Gas-Phase Vibrational Spectroscopy of the Hydrocarbon Cations l-C<sub>3</sub>H<sup>+</sup>, HC<sub>3</sub>H<sup>+</sup>, and c-C<sub>3</sub>H<sub>2</sub><sup>+</sup>: Structures, Isomers, and the Influence of Ne-Tagging
Sandra Brünken, Filippo Lipparini, Alexander Stoffels, et al.
La Radiologia Medica
|
July 1, 1983
[Real-time high-resolution echotomography and oral cholecystography in the study of hyperplastic cholecystosis]
S Sartoni Galloni, M Gervasio, G Saguatti, et al.
Journal of Chemical Theory and Computation
|
May 29, 2024
MBE-CASSCF Approach for the Accurate Treatment of Large Active Spaces
Jonas Greiner, Ivan Gianni, Tommaso Nottoli, et al.
La Radiologia Medica
|
July 1, 1996
[Paranasal sinusitis: study with conventional and spiral computerized tomography]
S Sartoni Galloni, M Burzi, M Lipparini, et al.
The Journal of Physical Chemistry Letters
|
October 11, 2017
Coupling Real-Time Time-Dependent Density Functional Theory with Polarizable Force Field
Greta Donati, Andrew Wildman, Stefano Caprasecca, et al.
The Journal of Organic Chemistry
|
June 3, 2021
A Proline Mimetic for the Design of New Stable Secondary Structures: Solvent-Dependent Amide Bond Isomerization of (<i>S</i>)-Indoline-2-carboxylic Acid Derivatives
Matteo Pollastrini, Filippo Lipparini, Luca Pasquinelli, et al.
Page
of 14
Search research articles
Search
Showing results (91-100 of 139) with videos related to
Sort By:
Page
of 14
Journal of Chemical Theory and Computation
|
August 1, 2017
Hybrid QM/MM Molecular Dynamics with AMOEBA Polarizable Embedding
Daniele Loco, Louis Lagardère, Stefano Caprasecca, et al.
Journal of Computational Chemistry
|
January 11, 2025
Extending the MST Model to Large Biomolecular Systems: Parametrization of the ddCOSMO-MST Continuum Solvation Model
R D Cunha, S Romero-Téllez, F Lipparini, et al.
The Journal of Physical Chemistry. A
|
October 27, 2023
Assessing Implicit and Explicit Polarizable Solvation Models for Nuclear-Electronic Orbital Systems: Quantum Proton Polarization and Solvation Energetics
Eleftherios Lambros, Benjamin Link, Mathew Chow, et al.
Journal of the American Chemical Society
|
March 12, 2024
Unraveling Water Solvation Effects with Quantum Mechanics/Molecular Mechanics Semiclassical Vibrational Spectroscopy: The Case of Thymidine
Davide Moscato, Giacomo Mandelli, Mattia Bondanza, et al.
The Journal of Physical Chemistry. A
|
August 20, 2019
Gas-Phase Vibrational Spectroscopy of the Hydrocarbon Cations l-C<sub>3</sub>H<sup>+</sup>, HC<sub>3</sub>H<sup>+</sup>, and c-C<sub>3</sub>H<sub>2</sub><sup>+</sup>: Structures, Isomers, and the Influence of Ne-Tagging
Sandra Brünken, Filippo Lipparini, Alexander Stoffels, et al.
La Radiologia Medica
|
July 1, 1983
[Real-time high-resolution echotomography and oral cholecystography in the study of hyperplastic cholecystosis]
S Sartoni Galloni, M Gervasio, G Saguatti, et al.
Journal of Chemical Theory and Computation
|
May 29, 2024
MBE-CASSCF Approach for the Accurate Treatment of Large Active Spaces
Jonas Greiner, Ivan Gianni, Tommaso Nottoli, et al.
La Radiologia Medica
|
July 1, 1996
[Paranasal sinusitis: study with conventional and spiral computerized tomography]
S Sartoni Galloni, M Burzi, M Lipparini, et al.
The Journal of Physical Chemistry Letters
|
October 11, 2017
Coupling Real-Time Time-Dependent Density Functional Theory with Polarizable Force Field
Greta Donati, Andrew Wildman, Stefano Caprasecca, et al.
The Journal of Organic Chemistry
|
June 3, 2021
A Proline Mimetic for the Design of New Stable Secondary Structures: Solvent-Dependent Amide Bond Isomerization of (<i>S</i>)-Indoline-2-carboxylic Acid Derivatives
Matteo Pollastrini, Filippo Lipparini, Luca Pasquinelli, et al.
Page
of 14