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Ivano Tavernelli

Showing results (1-10 of 115) with videos related to

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Physical Chemistry Chemical Physics : PCCP|April 23, 2020
Correlation effects in parallel tempering and the role of the swapping frequencyIvano Tavernelli
The Journal of Physical Chemistry. A|December 7, 2007
Self-interaction corrected density functional theory for the study of intramolecular electron transfer dynamics in radical carbocationsIvano Tavernelli
Accounts of Chemical Research|February 4, 2015
Nonadiabatic molecular dynamics simulations: synergies between theory and experimentsIvano Tavernelli
Physical Review Letters|March 16, 2007
Trajectory surface hopping within linear response time-dependent density-functional theoryEnrico Tapavicza, Ivano Tavernelli, Ursula Rothlisberger
Plos Computational Biology|May 23, 2013
Two misfolding routes for the prion protein around pH 4.5Julian Garrec, Ivano Tavernelli, Ursula Rothlisberger
Journal of Chemical Theory and Computation|November 21, 2015
Intricacies of Describing Weak Interactions Involving Halogen Atoms within Density Functional TheoryManuel Doemer, Ivano Tavernelli, Ursula Rothlisberger
Journal of Chemical Theory and Computation|January 26, 2019
Vertical Ionization Energies and Electron Affinities of Native and Damaged DNA Bases, Nucleotides, and Pairs from Density Functional Theory Calculations: Model Assessment and Implications for DNA Damage Recognition and RepairPolydefkis Diamantis, Ivano Tavernelli, Ursula Rothlisberger
The Journal of Physical Chemistry Letters|August 28, 2023
Spin-Flip Unitary Coupled Cluster Method: Toward Accurate Description of Strong Electron Correlation on Quantum ComputersFabijan Pavošević, Ivano Tavernelli, Angel Rubio
Physical Review Letters|June 13, 2002
Ab initio molecular dynamics for molecules with variable numbers of electronsIvano Tavernelli, Rodolphe Vuilleumier, Michiel Sprik
Journal of Chemical Theory and Computation|December 3, 2015
Structural and Energetic Properties of Organometallic Ruthenium(II) Diamine Anticancer Compounds and Their Interaction with NucleobasesChristian Gossens, Ivano Tavernelli, Ursula Rothlisberger
Pageof 12

Showing results (1-10 of 115) with videos related to

Sort By:
Pageof 12
Physical Chemistry Chemical Physics : PCCP|April 23, 2020
Correlation effects in parallel tempering and the role of the swapping frequencyIvano Tavernelli
The Journal of Physical Chemistry. A|December 7, 2007
Self-interaction corrected density functional theory for the study of intramolecular electron transfer dynamics in radical carbocationsIvano Tavernelli
Accounts of Chemical Research|February 4, 2015
Nonadiabatic molecular dynamics simulations: synergies between theory and experimentsIvano Tavernelli
Physical Review Letters|March 16, 2007
Trajectory surface hopping within linear response time-dependent density-functional theoryEnrico Tapavicza, Ivano Tavernelli, Ursula Rothlisberger
Plos Computational Biology|May 23, 2013
Two misfolding routes for the prion protein around pH 4.5Julian Garrec, Ivano Tavernelli, Ursula Rothlisberger
Journal of Chemical Theory and Computation|November 21, 2015
Intricacies of Describing Weak Interactions Involving Halogen Atoms within Density Functional TheoryManuel Doemer, Ivano Tavernelli, Ursula Rothlisberger
Journal of Chemical Theory and Computation|January 26, 2019
Vertical Ionization Energies and Electron Affinities of Native and Damaged DNA Bases, Nucleotides, and Pairs from Density Functional Theory Calculations: Model Assessment and Implications for DNA Damage Recognition and RepairPolydefkis Diamantis, Ivano Tavernelli, Ursula Rothlisberger
The Journal of Physical Chemistry Letters|August 28, 2023
Spin-Flip Unitary Coupled Cluster Method: Toward Accurate Description of Strong Electron Correlation on Quantum ComputersFabijan Pavošević, Ivano Tavernelli, Angel Rubio
Physical Review Letters|June 13, 2002
Ab initio molecular dynamics for molecules with variable numbers of electronsIvano Tavernelli, Rodolphe Vuilleumier, Michiel Sprik
Journal of Chemical Theory and Computation|December 3, 2015
Structural and Energetic Properties of Organometallic Ruthenium(II) Diamine Anticancer Compounds and Their Interaction with NucleobasesChristian Gossens, Ivano Tavernelli, Ursula Rothlisberger
Pageof 12