Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Filters

Alessandro Bagno

Showing results (11-20 of 49) with videos related to

Pageof 5
Sort By:
Magnetic Resonance in Chemistry : MRC|September 15, 2004
Relativistic DFT calculation of 99Ru NMR parameters: chemical shifts and spin-spin coupling constantsAlessandro Bagno, Marcella Bonchio
Physical Chemistry Chemical Physics : PCCP|January 21, 2011
Relativistic DFT calculations of the NMR properties and reactivity of transition metal methane σ-complexes: insights on C-H bond activationAlessandro Bagno, Giacomo Saielli
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|March 17, 2007
Computing the (1)H NMR spectrum of a bulk ionic liquid from snapshots of car-parrinello molecular dynamics simulationsAlessandro Bagno, Fabio D'Amico, Giacomo Saielli
The Journal of Physical Chemistry. B|November 17, 2006
Computing the NMR spectrum of a bulk ionic liquid phase by QM/MM methodsAlessandro Bagno, Fabio D'Amico, Giacomo Saielli
Chemistry (Weinheim an Der Bergstrasse, Germany)|December 4, 2014
Direct detection of (17)O in [Gd(DOTA)](-) by NMR spectroscopyLuca Fusaro, Girolamo Casella, Alessandro Bagno
Dalton Transactions (Cambridge, England : 2003)|May 15, 2014
Predicting the spin state of paramagnetic iron complexes by DFT calculation of proton NMR spectraAndrea Borgogno, Federico Rastrelli, Alessandro Bagno
The Journal of Physical Chemistry. B|February 11, 2015
Insights on the isotropic-to-smectic A transition in ionic liquid crystals from coarse-grained molecular dynamics simulations: the role of microphase segregationGiacomo Saielli, Alessandro Bagno, Yanting Wang
The Journal of Organic Chemistry|August 28, 2007
Prediction of the 1H and 13C NMR spectra of alpha-D-glucose in water by DFT methods and MD simulationsAlessandro Bagno, Federico Rastrelli, Giacomo Saielli
Angewandte Chemie (International Ed. in English)|May 2, 2018
DFT Calculation of Intermolecular Nuclear Spin-Spin Coupling in van der Waals DimersAlessandro Bagno, Giacomo Saielli, Gianfranco Scorrano
Physical Chemistry Chemical Physics : PCCP|September 25, 2013
Spectroscopic signatures of the carbon buckyonions C60@C180 and C60@C240: a dispersion-corrected DFT studyGirolamo Casella, Alessandro Bagno, Giacomo Saielli
Pageof 5

Showing results (11-20 of 49) with videos related to

Sort By:
Pageof 5
Magnetic Resonance in Chemistry : MRC|September 15, 2004
Relativistic DFT calculation of 99Ru NMR parameters: chemical shifts and spin-spin coupling constantsAlessandro Bagno, Marcella Bonchio
Physical Chemistry Chemical Physics : PCCP|January 21, 2011
Relativistic DFT calculations of the NMR properties and reactivity of transition metal methane σ-complexes: insights on C-H bond activationAlessandro Bagno, Giacomo Saielli
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|March 17, 2007
Computing the (1)H NMR spectrum of a bulk ionic liquid from snapshots of car-parrinello molecular dynamics simulationsAlessandro Bagno, Fabio D'Amico, Giacomo Saielli
The Journal of Physical Chemistry. B|November 17, 2006
Computing the NMR spectrum of a bulk ionic liquid phase by QM/MM methodsAlessandro Bagno, Fabio D'Amico, Giacomo Saielli
Chemistry (Weinheim an Der Bergstrasse, Germany)|December 4, 2014
Direct detection of (17)O in [Gd(DOTA)](-) by NMR spectroscopyLuca Fusaro, Girolamo Casella, Alessandro Bagno
Dalton Transactions (Cambridge, England : 2003)|May 15, 2014
Predicting the spin state of paramagnetic iron complexes by DFT calculation of proton NMR spectraAndrea Borgogno, Federico Rastrelli, Alessandro Bagno
The Journal of Physical Chemistry. B|February 11, 2015
Insights on the isotropic-to-smectic A transition in ionic liquid crystals from coarse-grained molecular dynamics simulations: the role of microphase segregationGiacomo Saielli, Alessandro Bagno, Yanting Wang
The Journal of Organic Chemistry|August 28, 2007
Prediction of the 1H and 13C NMR spectra of alpha-D-glucose in water by DFT methods and MD simulationsAlessandro Bagno, Federico Rastrelli, Giacomo Saielli
Angewandte Chemie (International Ed. in English)|May 2, 2018
DFT Calculation of Intermolecular Nuclear Spin-Spin Coupling in van der Waals DimersAlessandro Bagno, Giacomo Saielli, Gianfranco Scorrano
Physical Chemistry Chemical Physics : PCCP|September 25, 2013
Spectroscopic signatures of the carbon buckyonions C60@C180 and C60@C240: a dispersion-corrected DFT studyGirolamo Casella, Alessandro Bagno, Giacomo Saielli
Pageof 5