Search research articles
Contact Us
Filters
Showing results (1-10 of 42) with videos related to
Page
of 5
Sort By:
Journal of Chemical Theory and Computation
|
November 27, 2015
Validation of the B3LYP/N07D and PBE0/N07D Computational Models for the Calculation of Electronic g-Tensors
Vincenzo Barone, Paola Cimino
Magnetic Resonance in Chemistry : MRC
|
July 14, 2010
An integrated computational protocol for the accurate prediction of EPR and PNMR parameters of aminoxyl radicals in solution
Vincenzo Barone, Paola Cimino, Alfonso Pedone
The Journal of Physical Chemistry. A
|
August 10, 2007
Halogen bonds between 2,2,6,6-tetramethylpiperidine-N-oxyl radical and CxHyFzI species: DFT calculations of physicochemical properties and comparison with hydrogen bonded adducts
Paola Cimino, Michele Pavone, Vincenzo Barone
Journal of Chemical Theory and Computation
|
December 2, 2015
Development and Validation of the B3LYP/N07D Computational Model for Structural Parameter and Magnetic Tensors of Large Free Radicals
Vincenzo Barone, Paola Cimino, Emiliano Stendardo
The Journal of Organic Chemistry
|
October 23, 2004
Regioselectivity and nucleophilic control in the cyclopropane ring opening of duocarmycin SA derivatives under neutral and acid conditions: a quantum mechanical study in the gas phase and in solution
Paola Cimino, Luigi Gomez-Paloma, Vincenzo Barone
The Journal of Chemical Physics
|
January 22, 2008
On the interpretation of continuous wave electron spin resonance spectra of tempo-palmitate in 5-cyanobiphenyl
Mirco Zerbetto, Antonino Polimeno, Paola Cimino, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
December 5, 2006
Gas-phase chemistry of diphosphate anions as a tool to investigate the intrinsic requirements of phosphate ester enzymatic reactions: the [M1M2HP2O7]- ions
Federico Pepi, Vincenzo Barone, Paola Cimino, et al.
The Journal of Physical Chemistry. A
|
February 21, 2024
Evidence of Excited-State Vibrational Mode Governing the Photorelaxation of a Charge-Transfer Complex
Federico Coppola, Paola Cimino, Alessio Petrone, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
Accurate Infrared (IR) Spectra for Molecules Containing the C≡N Moiety by Anharmonic Computations with the Double Hybrid B2PLYP Density Functional
Fanny Vazart, Camille Latouche, Paola Cimino, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 2, 2010
Interplay of stereo-electronic, environmental, and dynamical effects in determining the EPR parameters of aromatic spin-probes: INDCO as a test case
Paola Cimino, Alfonso Pedone, Emiliano Stendardo, et al.
Page
of 5
Search research articles
Search
Showing results (1-10 of 42) with videos related to
Sort By:
Page
of 5
Journal of Chemical Theory and Computation
|
November 27, 2015
Validation of the B3LYP/N07D and PBE0/N07D Computational Models for the Calculation of Electronic g-Tensors
Vincenzo Barone, Paola Cimino
Magnetic Resonance in Chemistry : MRC
|
July 14, 2010
An integrated computational protocol for the accurate prediction of EPR and PNMR parameters of aminoxyl radicals in solution
Vincenzo Barone, Paola Cimino, Alfonso Pedone
The Journal of Physical Chemistry. A
|
August 10, 2007
Halogen bonds between 2,2,6,6-tetramethylpiperidine-N-oxyl radical and CxHyFzI species: DFT calculations of physicochemical properties and comparison with hydrogen bonded adducts
Paola Cimino, Michele Pavone, Vincenzo Barone
Journal of Chemical Theory and Computation
|
December 2, 2015
Development and Validation of the B3LYP/N07D Computational Model for Structural Parameter and Magnetic Tensors of Large Free Radicals
Vincenzo Barone, Paola Cimino, Emiliano Stendardo
The Journal of Organic Chemistry
|
October 23, 2004
Regioselectivity and nucleophilic control in the cyclopropane ring opening of duocarmycin SA derivatives under neutral and acid conditions: a quantum mechanical study in the gas phase and in solution
Paola Cimino, Luigi Gomez-Paloma, Vincenzo Barone
The Journal of Chemical Physics
|
January 22, 2008
On the interpretation of continuous wave electron spin resonance spectra of tempo-palmitate in 5-cyanobiphenyl
Mirco Zerbetto, Antonino Polimeno, Paola Cimino, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
December 5, 2006
Gas-phase chemistry of diphosphate anions as a tool to investigate the intrinsic requirements of phosphate ester enzymatic reactions: the [M1M2HP2O7]- ions
Federico Pepi, Vincenzo Barone, Paola Cimino, et al.
The Journal of Physical Chemistry. A
|
February 21, 2024
Evidence of Excited-State Vibrational Mode Governing the Photorelaxation of a Charge-Transfer Complex
Federico Coppola, Paola Cimino, Alessio Petrone, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
Accurate Infrared (IR) Spectra for Molecules Containing the C≡N Moiety by Anharmonic Computations with the Double Hybrid B2PLYP Density Functional
Fanny Vazart, Camille Latouche, Paola Cimino, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 2, 2010
Interplay of stereo-electronic, environmental, and dynamical effects in determining the EPR parameters of aromatic spin-probes: INDCO as a test case
Paola Cimino, Alfonso Pedone, Emiliano Stendardo, et al.
Page
of 5