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Carlo Adamo

Showing results (11-20 of 221) with videos related to

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The Journal of Chemical Physics|July 23, 2004
Performance of the tau-dependent functionals in predicting the magnetic coupling of ionic antiferromagnetic insulatorsIlaria Ciofini, Francesc Illas, Carlo Adamo
Journal of Computational Chemistry|November 21, 2025
Emission Using Adaptable Range Separated Hybrids: Thermally Activated Delayed Fluorescence Emitters as Test CaseTianhong Yan, Carlo Adamo, Ilaria Ciofini
Journal of Chemical Theory and Computation|December 8, 2015
Predictions of Optical Excitations in Transition-Metal Complexes with Time Dependent-Density Functional Theory:  Influence of Basis SetsLaurence Petit, Pascale Maldivi, Carlo Adamo
Journal of Chemical Theory and Computation|December 2, 2015
Structural and Electronic Properties of Selected Rutile and Anatase TiO2 Surfaces:  An ab Initio InvestigationFrédéric Labat, Philippe Baranek, Carlo Adamo
The Journal of Chemical Physics|February 3, 2018
Communication: Evaluating non-empirical double hybrid functionals for spin-state energetics in transition-metal complexesLiam Wilbraham, Carlo Adamo, Ilaria Ciofini
The Journal of Chemical Physics|August 7, 2009
Modeling ZnO phases using a periodic approach: from bulk to surface and beyondFrédéric Labat, Ilaria Ciofini, Carlo Adamo
Physical Chemistry Chemical Physics : PCCP|October 29, 2013
Evaluating push-pull dye efficiency using TD-DFT and charge transfer indicesGregorio García, Carlo Adamo, Ilaria Ciofini
Journal of Computational Chemistry|April 15, 2003
Comparative studies of quasi-relativistic density functional methods for the description of lanthanide and actinide complexesValentina Vetere, Pascale Maldivi, Carlo Adamo
The Journal of Chemical Physics|October 12, 2004
Complete structural and magnetic characterization of biological radicals in solution by an integrated quantum mechanical approach: glycyl radical as a case studyIlaria Ciofini, Carlo Adamo, Vincenzo Barone
The Journal of Chemical Physics|January 22, 2008
A new parameter-free correlation functional based on an average atomic reduced density gradient analysisVincent Tognetti, Pietro Cortona, Carlo Adamo
Pageof 23

Showing results (11-20 of 221) with videos related to

Sort By:
Pageof 23
The Journal of Chemical Physics|July 23, 2004
Performance of the tau-dependent functionals in predicting the magnetic coupling of ionic antiferromagnetic insulatorsIlaria Ciofini, Francesc Illas, Carlo Adamo
Journal of Computational Chemistry|November 21, 2025
Emission Using Adaptable Range Separated Hybrids: Thermally Activated Delayed Fluorescence Emitters as Test CaseTianhong Yan, Carlo Adamo, Ilaria Ciofini
Journal of Chemical Theory and Computation|December 8, 2015
Predictions of Optical Excitations in Transition-Metal Complexes with Time Dependent-Density Functional Theory:  Influence of Basis SetsLaurence Petit, Pascale Maldivi, Carlo Adamo
Journal of Chemical Theory and Computation|December 2, 2015
Structural and Electronic Properties of Selected Rutile and Anatase TiO2 Surfaces:  An ab Initio InvestigationFrédéric Labat, Philippe Baranek, Carlo Adamo
The Journal of Chemical Physics|February 3, 2018
Communication: Evaluating non-empirical double hybrid functionals for spin-state energetics in transition-metal complexesLiam Wilbraham, Carlo Adamo, Ilaria Ciofini
The Journal of Chemical Physics|August 7, 2009
Modeling ZnO phases using a periodic approach: from bulk to surface and beyondFrédéric Labat, Ilaria Ciofini, Carlo Adamo
Physical Chemistry Chemical Physics : PCCP|October 29, 2013
Evaluating push-pull dye efficiency using TD-DFT and charge transfer indicesGregorio García, Carlo Adamo, Ilaria Ciofini
Journal of Computational Chemistry|April 15, 2003
Comparative studies of quasi-relativistic density functional methods for the description of lanthanide and actinide complexesValentina Vetere, Pascale Maldivi, Carlo Adamo
The Journal of Chemical Physics|October 12, 2004
Complete structural and magnetic characterization of biological radicals in solution by an integrated quantum mechanical approach: glycyl radical as a case studyIlaria Ciofini, Carlo Adamo, Vincenzo Barone
The Journal of Chemical Physics|January 22, 2008
A new parameter-free correlation functional based on an average atomic reduced density gradient analysisVincent Tognetti, Pietro Cortona, Carlo Adamo
Pageof 23