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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.
The Journal of Chemical Physics
|
June 24, 2019
Accurate interaction energies by spin component scaled Möller-Plesset second order perturbation theory calculations with optimized basis sets (SCS-MP2<sup>mod</sup>): Development and application to aromatic heterocycles
Ivo Cacelli, Filippo Lipparini, Leandro Greff da Silveira, et al.
Journal of Chemical Theory and Computation
|
June 25, 2016
A QM/MM Approach Using the AMOEBA Polarizable Embedding: From Ground State Energies to Electronic Excitations
Daniele Loco, Étienne Polack, Stefano Caprasecca, et al.
The Journal of Chemical Physics
|
April 16, 2022
The He-H<sub>3</sub> <sup>+</sup> complex. I. Vibration-rotation-tunneling states and transition probabilities
Michael E Harding, Filippo Lipparini, Jürgen Gauss, et al.
Journal of Chemical Theory and Computation
|
September 5, 2024
Reference CC3 Excitation Energies for Organic Chromophores: Benchmarking TD-DFT, BSE/<i>GW</i>, and Wave Function Methods
Iryna Knysh, Filippo Lipparini, Aymeric Blondel, et al.
Angewandte Chemie (International Ed. in English)
|
October 9, 2025
Multicomponent Synthesis on a Diiron Platform of Stable Ferrabenzenes with Promising Anticancer Activity
Sara Benetti, Tommaso Nottoli, Zhimei Xiao, et al.
Journal of Computational Chemistry
|
January 20, 2016
LICHEM: A QM/MM program for simulations with multipolar and polarizable force fields
Eric G Kratz, Alice R Walker, Louis Lagardère, et al.
Journal of Chemical Theory and Computation
|
January 29, 2019
Time-Dependent Complete Active Space Embedded in a Polarizable Force Field
Hongbin Liu, Andrew J Jenkins, Andrew Wildman, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
December 22, 2021
Electronic Circular Dichroism Imaging (ECDi) Casts a New Light on the Origin of Solid-State Chiroptical Properties
Marcin Górecki, Filippo Lipparini, Gianluigi Albano, et al.
Page
of 11
Search research articles
Search
Showing results (71-80 of 105) with videos related to
Sort By:
Page
of 11
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.
The Journal of Chemical Physics
|
June 24, 2019
Accurate interaction energies by spin component scaled Möller-Plesset second order perturbation theory calculations with optimized basis sets (SCS-MP2<sup>mod</sup>): Development and application to aromatic heterocycles
Ivo Cacelli, Filippo Lipparini, Leandro Greff da Silveira, et al.
Journal of Chemical Theory and Computation
|
June 25, 2016
A QM/MM Approach Using the AMOEBA Polarizable Embedding: From Ground State Energies to Electronic Excitations
Daniele Loco, Étienne Polack, Stefano Caprasecca, et al.
The Journal of Chemical Physics
|
April 16, 2022
The He-H<sub>3</sub> <sup>+</sup> complex. I. Vibration-rotation-tunneling states and transition probabilities
Michael E Harding, Filippo Lipparini, Jürgen Gauss, et al.
Journal of Chemical Theory and Computation
|
September 5, 2024
Reference CC3 Excitation Energies for Organic Chromophores: Benchmarking TD-DFT, BSE/<i>GW</i>, and Wave Function Methods
Iryna Knysh, Filippo Lipparini, Aymeric Blondel, et al.
Angewandte Chemie (International Ed. in English)
|
October 9, 2025
Multicomponent Synthesis on a Diiron Platform of Stable Ferrabenzenes with Promising Anticancer Activity
Sara Benetti, Tommaso Nottoli, Zhimei Xiao, et al.
Journal of Computational Chemistry
|
January 20, 2016
LICHEM: A QM/MM program for simulations with multipolar and polarizable force fields
Eric G Kratz, Alice R Walker, Louis Lagardère, et al.
Journal of Chemical Theory and Computation
|
January 29, 2019
Time-Dependent Complete Active Space Embedded in a Polarizable Force Field
Hongbin Liu, Andrew J Jenkins, Andrew Wildman, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
December 22, 2021
Electronic Circular Dichroism Imaging (ECDi) Casts a New Light on the Origin of Solid-State Chiroptical Properties
Marcin Górecki, Filippo Lipparini, Gianluigi Albano, et al.
Page
of 11