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Mariano Spivak

Showing results (1-10 of 8) with videos related to

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The Journal of Physical Chemistry. A|February 1, 2019
Trends in the Bond Multiplicity of Cr<sub>2</sub>, Cr<sub>3</sub>, and Cr<sub>2</sub>M (M = Zn, Ni, Fe, Mn) Complexes Extracted from Multiconfigurational Wave FunctionsMariano Spivak, Xavier López, Coen de Graaf
Physical Chemistry Chemical Physics : PCCP|July 2, 2021
Gating the conductance of extended metal atom chains: a computational analysis of Ru<sub>3</sub>(dpa)<sub>4</sub>(NCS)<sub>2</sub> and [Ru<sub>3</sub>(npa)<sub>4</sub>(NCS)<sub>2</sub>]Mariano Spivak, Coen de Graaf, Vaida Arcisauskaite, et al.
Journal of Computational Chemistry|July 4, 2014
Improving the calculation of magnetic coupling constants in MRPT methodsMariano Spivak, Celestino Angeli, Carmen J Calzado, et al.
Frontiers in Bioinformatics|April 26, 2024
From complex data to clear insights: visualizing molecular dynamics trajectoriesHayet Belghit, Mariano Spivak, Manuel Dauchez, et al.
Physical Chemistry Chemical Physics : PCCP|August 16, 2016
Biradical character in the ground state of [Mn@Si12](+): a DFT and CASPT2 studyVaida Arcisauskaite, Domagoj Fijan, Mariano Spivak, et al.
The Journal of Physical Chemistry. A|January 28, 2017
Quantum Chemical Characterization of Single Molecule Magnets Based on UraniumMariano Spivak, Konstantinos D Vogiatzis, Christopher J Cramer, et al.
Journal of Chemical Information and Modeling|July 28, 2023
VMD as a Platform for Interactive Small Molecule Preparation and Visualization in Quantum and Classical SimulationsMariano Spivak, John E Stone, João Ribeiro, et al.
The Journal of Chemical Physics|June 25, 2024
Broadening access to small-molecule parameterization with the force field toolkitYunlin Zeng, Anna Pavlova, Philip M Nelson, et al.
Pageof 1

Showing results (1-10 of 8) with videos related to

Sort By:
Pageof 1
The Journal of Physical Chemistry. A|February 1, 2019
Trends in the Bond Multiplicity of Cr<sub>2</sub>, Cr<sub>3</sub>, and Cr<sub>2</sub>M (M = Zn, Ni, Fe, Mn) Complexes Extracted from Multiconfigurational Wave FunctionsMariano Spivak, Xavier López, Coen de Graaf
Physical Chemistry Chemical Physics : PCCP|July 2, 2021
Gating the conductance of extended metal atom chains: a computational analysis of Ru<sub>3</sub>(dpa)<sub>4</sub>(NCS)<sub>2</sub> and [Ru<sub>3</sub>(npa)<sub>4</sub>(NCS)<sub>2</sub>]Mariano Spivak, Coen de Graaf, Vaida Arcisauskaite, et al.
Journal of Computational Chemistry|July 4, 2014
Improving the calculation of magnetic coupling constants in MRPT methodsMariano Spivak, Celestino Angeli, Carmen J Calzado, et al.
Frontiers in Bioinformatics|April 26, 2024
From complex data to clear insights: visualizing molecular dynamics trajectoriesHayet Belghit, Mariano Spivak, Manuel Dauchez, et al.
Physical Chemistry Chemical Physics : PCCP|August 16, 2016
Biradical character in the ground state of [Mn@Si12](+): a DFT and CASPT2 studyVaida Arcisauskaite, Domagoj Fijan, Mariano Spivak, et al.
The Journal of Physical Chemistry. A|January 28, 2017
Quantum Chemical Characterization of Single Molecule Magnets Based on UraniumMariano Spivak, Konstantinos D Vogiatzis, Christopher J Cramer, et al.
Journal of Chemical Information and Modeling|July 28, 2023
VMD as a Platform for Interactive Small Molecule Preparation and Visualization in Quantum and Classical SimulationsMariano Spivak, John E Stone, João Ribeiro, et al.
The Journal of Chemical Physics|June 25, 2024
Broadening access to small-molecule parameterization with the force field toolkitYunlin Zeng, Anna Pavlova, Philip M Nelson, et al.
Pageof 1