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Mauro Causà

Showing results (1-10 of 15) with videos related to

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The Journal of Physical Chemistry. A|October 1, 2011
Maximum probability domains in crystals: the rock-salt structureMauro Causà, Andreas Savin
The Journal of Physical Chemistry. A|December 8, 2006
Aromatic hydrocarbon nitration under tropospheric and combustion conditions. A theoretical mechanistic studyGiovanni Ghigo, Mauro Causà, Andrea Maranzana, et al.
The Journal of Chemical Physics|November 30, 2006
The oxidized soot surface: theoretical study of desorption mechanisms involving oxygenated functionalities and comparison with temperature programed desorption experimentsGianluca Barco, Andrea Maranzana, Giovanni Ghigo, et al.
Journal of Chemical Theory and Computation|April 29, 2026
The Hartree-Fock Exchange for Crystalline Systems: The Implementation with an (<i>All-Electron</i>) Gaussian-Type Basis Set and Numerical Evidence with Reference to PerovskitesRoberto Dovesi, Klaus Doll, Mauro Causà, et al.
The Journal of Physical Chemistry. A|December 24, 2010
Border reactivity of polycyclic aromatic hydrocarbons and soot platelets toward ozone. A theoretical studyAnna Giordana, Andrea Maranzana, Giovanni Ghigo, et al.
The Journal of Physical Chemistry. A|January 17, 2008
Soot platelets and PAHs with an odd number of unsaturated carbon atoms and pi electrons: theoretical study of their spin properties and interaction with ozoneAnna Giordana, Andrea Maranzana, Giovanni Ghigo, et al.
Scientific Reports|July 13, 2016
Strong and Anomalous Thermal Expansion Precedes the Thermosalient Effect in Dynamic Molecular CrystalsManas K Panda, Roberto Centore, Mauro Causà, et al.
The Journal of Physical Chemistry. A|December 8, 2005
Ozone interaction with polycyclic aromatic hydrocarbons and soot in atmospheric processes: theoretical density functional study by molecular and periodic methodologiesAndrea Maranzana, Giovanni Serra, Anna Giordana, et al.
Physical Chemistry Chemical Physics : PCCP|August 12, 2017
The VN<sub>3</sub>H defect in diamond: a quantum-mechanical characterizationFrancesco Silvio Gentile, Simone Salustro, Mauro Causà, et al.
The Journal of Chemical Physics|January 7, 2014
Density functional theory study of the interaction of vinyl radical, ethyne, and ethene with benzene, aimed to define an affordable computational level to investigate stability trends in large van der Waals complexesAndrea Maranzana, Anna Giordana, Antonius Indarto, et al.
Pageof 2

Showing results (1-10 of 15) with videos related to

Sort By:
Pageof 2
The Journal of Physical Chemistry. A|October 1, 2011
Maximum probability domains in crystals: the rock-salt structureMauro Causà, Andreas Savin
The Journal of Physical Chemistry. A|December 8, 2006
Aromatic hydrocarbon nitration under tropospheric and combustion conditions. A theoretical mechanistic studyGiovanni Ghigo, Mauro Causà, Andrea Maranzana, et al.
The Journal of Chemical Physics|November 30, 2006
The oxidized soot surface: theoretical study of desorption mechanisms involving oxygenated functionalities and comparison with temperature programed desorption experimentsGianluca Barco, Andrea Maranzana, Giovanni Ghigo, et al.
Journal of Chemical Theory and Computation|April 29, 2026
The Hartree-Fock Exchange for Crystalline Systems: The Implementation with an (<i>All-Electron</i>) Gaussian-Type Basis Set and Numerical Evidence with Reference to PerovskitesRoberto Dovesi, Klaus Doll, Mauro Causà, et al.
The Journal of Physical Chemistry. A|December 24, 2010
Border reactivity of polycyclic aromatic hydrocarbons and soot platelets toward ozone. A theoretical studyAnna Giordana, Andrea Maranzana, Giovanni Ghigo, et al.
The Journal of Physical Chemistry. A|January 17, 2008
Soot platelets and PAHs with an odd number of unsaturated carbon atoms and pi electrons: theoretical study of their spin properties and interaction with ozoneAnna Giordana, Andrea Maranzana, Giovanni Ghigo, et al.
Scientific Reports|July 13, 2016
Strong and Anomalous Thermal Expansion Precedes the Thermosalient Effect in Dynamic Molecular CrystalsManas K Panda, Roberto Centore, Mauro Causà, et al.
The Journal of Physical Chemistry. A|December 8, 2005
Ozone interaction with polycyclic aromatic hydrocarbons and soot in atmospheric processes: theoretical density functional study by molecular and periodic methodologiesAndrea Maranzana, Giovanni Serra, Anna Giordana, et al.
Physical Chemistry Chemical Physics : PCCP|August 12, 2017
The VN<sub>3</sub>H defect in diamond: a quantum-mechanical characterizationFrancesco Silvio Gentile, Simone Salustro, Mauro Causà, et al.
The Journal of Chemical Physics|January 7, 2014
Density functional theory study of the interaction of vinyl radical, ethyne, and ethene with benzene, aimed to define an affordable computational level to investigate stability trends in large van der Waals complexesAndrea Maranzana, Anna Giordana, Antonius Indarto, et al.
Pageof 2