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Journal of Computational Chemistry
|
June 30, 2016
Dipole and quadrupole polarizabilities of the water molecule as a function of geometry
Oleksandr Loboda, Francesca Ingrosso, Manuel F Ruiz-López, et al.
The Journal of Physical Chemistry Letters
|
May 15, 2019
Short- and Long-Range Solvation Effects on the Transient UV-Vis Absorption Spectra of a Ru(II)-Polypyridine Complex Disentangled by Nonequilibrium Molecular Dynamics
Giacomo Prampolini, Francesca Ingrosso, Javier Cerezo, et al.
Journal of Chemical Theory and Computation
|
November 28, 2018
Dynamical and Environmental Effects on the Optical Properties of an Heteroleptic Ru(II)-Polypyridine Complex: A Multilevel Approach Combining Accurate Ground and Excited State QM-Derived Force Fields, MD and TD-DFT
Giacomo Prampolini, Francesca Ingrosso, Alekos Segalina, et al.
The Journal of Physical Chemistry. B
|
February 2, 2013
Taste for chiral guests: investigating the stereoselective binding of peptides to β-cyclodextrins
Muhannad Altarsha, Violeta Yeguas, Francesca Ingrosso, et al.
Hormone Research in Paediatrics
|
February 6, 2022
Stress and Diabetes Mellitus: Pathogenetic Mechanisms and Clinical Outcome
Diletta Maria Francesca Ingrosso, Marina Primavera, Sona Samvelyan, et al.
Journal of Chemical Theory and Computation
|
November 25, 2015
Importance of Polarization and Charge Transfer Effects to Model the Infrared Spectra of Peptides in Solution
Francesca Ingrosso, Gérald Monard, Marwa Hamdi Farag, et al.
The Journal of Physical Chemistry. B
|
May 20, 2014
Vibrational energy relaxation of the amide I mode of N-methylacetamide in D₂O studied through Born-Oppenheimer molecular dynamics
Marwa H Farag, Adolfo Bastida, Manuel F Ruiz-López, et al.
Molecules (Basel, Switzerland)
|
September 14, 2024
Structural and Electronic Properties of Novel Azothiophene Dyes: A Multilevel Study Incorporating Explicit Solvation Effects
Laura Vautrin, Alexandrine Lambert, Faouzi Mahdhaoui, et al.
The Journal of Physical Chemistry. B
|
September 19, 2014
Hydration Effect on Amide I Infrared Bands in Water: An Interpretation Based on an Interaction Energy Decomposition Scheme
Marwa H Farag, Manuel F Ruiz-López, Adolfo Bastida, et al.
The Journal of Chemical Physics
|
April 8, 2006
Formation and relaxation of excited states in solution: a new time dependent polarizable continuum model based on time dependent density functional theory
Marco Caricato, Benedetta Mennucci, Jacopo Tomasi, et al.
Page
of 4
Search research articles
Search
Showing results (21-30 of 36) with videos related to
Sort By:
Page
of 4
Journal of Computational Chemistry
|
June 30, 2016
Dipole and quadrupole polarizabilities of the water molecule as a function of geometry
Oleksandr Loboda, Francesca Ingrosso, Manuel F Ruiz-López, et al.
The Journal of Physical Chemistry Letters
|
May 15, 2019
Short- and Long-Range Solvation Effects on the Transient UV-Vis Absorption Spectra of a Ru(II)-Polypyridine Complex Disentangled by Nonequilibrium Molecular Dynamics
Giacomo Prampolini, Francesca Ingrosso, Javier Cerezo, et al.
Journal of Chemical Theory and Computation
|
November 28, 2018
Dynamical and Environmental Effects on the Optical Properties of an Heteroleptic Ru(II)-Polypyridine Complex: A Multilevel Approach Combining Accurate Ground and Excited State QM-Derived Force Fields, MD and TD-DFT
Giacomo Prampolini, Francesca Ingrosso, Alekos Segalina, et al.
The Journal of Physical Chemistry. B
|
February 2, 2013
Taste for chiral guests: investigating the stereoselective binding of peptides to β-cyclodextrins
Muhannad Altarsha, Violeta Yeguas, Francesca Ingrosso, et al.
Hormone Research in Paediatrics
|
February 6, 2022
Stress and Diabetes Mellitus: Pathogenetic Mechanisms and Clinical Outcome
Diletta Maria Francesca Ingrosso, Marina Primavera, Sona Samvelyan, et al.
Journal of Chemical Theory and Computation
|
November 25, 2015
Importance of Polarization and Charge Transfer Effects to Model the Infrared Spectra of Peptides in Solution
Francesca Ingrosso, Gérald Monard, Marwa Hamdi Farag, et al.
The Journal of Physical Chemistry. B
|
May 20, 2014
Vibrational energy relaxation of the amide I mode of N-methylacetamide in D₂O studied through Born-Oppenheimer molecular dynamics
Marwa H Farag, Adolfo Bastida, Manuel F Ruiz-López, et al.
Molecules (Basel, Switzerland)
|
September 14, 2024
Structural and Electronic Properties of Novel Azothiophene Dyes: A Multilevel Study Incorporating Explicit Solvation Effects
Laura Vautrin, Alexandrine Lambert, Faouzi Mahdhaoui, et al.
The Journal of Physical Chemistry. B
|
September 19, 2014
Hydration Effect on Amide I Infrared Bands in Water: An Interpretation Based on an Interaction Energy Decomposition Scheme
Marwa H Farag, Manuel F Ruiz-López, Adolfo Bastida, et al.
The Journal of Chemical Physics
|
April 8, 2006
Formation and relaxation of excited states in solution: a new time dependent polarizable continuum model based on time dependent density functional theory
Marco Caricato, Benedetta Mennucci, Jacopo Tomasi, et al.
Page
of 4