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Edoardo Aprà

Showing results (1-10 of 49) with videos related to

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The Journal of Chemical Physics|July 23, 2004
The binding energies of the D2d and S4 water octamer isomers: high-level electronic structure and empirical potential resultsSotiris S Xantheas, Edoardo Aprà
Chemistry (Weinheim an Der Bergstrasse, Germany)|May 15, 2007
Structure of Ag clusters Grown on Fs-Defect Sites of an MgO(1 0 0) surfaceGiovanni Barcaro, Edoardo Aprà, Alessandro Fortunelli
The Journal of Physical Chemistry. A|April 26, 2014
Benchmark theoretical study of the π-π binding energy in the benzene dimerEvangelos Miliordos, Edoardo Aprà, Sotiris S Xantheas
The Journal of Chemical Physics|September 28, 2013
Optimal geometries and harmonic vibrational frequencies of the global minima of water clusters (H2O)n, n = 2-6, and several hexamer local minima at the CCSD(T) level of theoryEvangelos Miliordos, Edoardo Aprà, Sotiris S Xantheas
Journal of Chemical Theory and Computation|July 14, 2016
A New, Dispersion-Driven Intermolecular Arrangement for the Benzene-Water Octamer Complex: Isomers and Analysis of their Vibrational SpectraEvangelos Miliordos, Edoardo Aprà, Sotiris S Xantheas
The Journal of Chemical Physics|July 30, 2004
High-level ab initio calculations for the four low-lying families of minima of (H2O)20. I. Estimates of MP2/CBS binding energies and comparison with empirical potentialsGeorge S Fanourgakis, Edoardo Aprà, Sotiris S Xantheas
Physical Chemistry Chemical Physics : PCCP|January 24, 2023
A critical comparison of CH⋯π <i>versus</i> π⋯π interactions in the benzene dimer: obtaining benchmarks at the CCSD(T) level and assessing the accuracy of lower scaling methodsKristina M Herman, Edoardo Aprà, Sotiris S Xantheas
The Journal of Physical Chemistry. A|July 24, 2019
Gauging Molecular Orientation through Time Domain Simulations of Surface-Enhanced Raman ScatteringEdoardo Aprà, Ashish Bhattarai, Patrick Z El-Khoury
Journal of Chemical Theory and Computation|July 11, 2022
Basis Set Selection for Molecular Core-Level <i>GW</i> CalculationsDaniel Mejia-Rodriguez, Alexander Kunitsa, Edoardo Aprà, et al.
Chemsuschem|May 30, 2013
Computational approaches to the chemical conversion of carbon dioxideDaojian Cheng, Fabio R Negreiros, Edoardo Aprà, et al.
Pageof 5

Showing results (1-10 of 49) with videos related to

Sort By:
Pageof 5
The Journal of Chemical Physics|July 23, 2004
The binding energies of the D2d and S4 water octamer isomers: high-level electronic structure and empirical potential resultsSotiris S Xantheas, Edoardo Aprà
Chemistry (Weinheim an Der Bergstrasse, Germany)|May 15, 2007
Structure of Ag clusters Grown on Fs-Defect Sites of an MgO(1 0 0) surfaceGiovanni Barcaro, Edoardo Aprà, Alessandro Fortunelli
The Journal of Physical Chemistry. A|April 26, 2014
Benchmark theoretical study of the π-π binding energy in the benzene dimerEvangelos Miliordos, Edoardo Aprà, Sotiris S Xantheas
The Journal of Chemical Physics|September 28, 2013
Optimal geometries and harmonic vibrational frequencies of the global minima of water clusters (H2O)n, n = 2-6, and several hexamer local minima at the CCSD(T) level of theoryEvangelos Miliordos, Edoardo Aprà, Sotiris S Xantheas
Journal of Chemical Theory and Computation|July 14, 2016
A New, Dispersion-Driven Intermolecular Arrangement for the Benzene-Water Octamer Complex: Isomers and Analysis of their Vibrational SpectraEvangelos Miliordos, Edoardo Aprà, Sotiris S Xantheas
The Journal of Chemical Physics|July 30, 2004
High-level ab initio calculations for the four low-lying families of minima of (H2O)20. I. Estimates of MP2/CBS binding energies and comparison with empirical potentialsGeorge S Fanourgakis, Edoardo Aprà, Sotiris S Xantheas
Physical Chemistry Chemical Physics : PCCP|January 24, 2023
A critical comparison of CH⋯π <i>versus</i> π⋯π interactions in the benzene dimer: obtaining benchmarks at the CCSD(T) level and assessing the accuracy of lower scaling methodsKristina M Herman, Edoardo Aprà, Sotiris S Xantheas
The Journal of Physical Chemistry. A|July 24, 2019
Gauging Molecular Orientation through Time Domain Simulations of Surface-Enhanced Raman ScatteringEdoardo Aprà, Ashish Bhattarai, Patrick Z El-Khoury
Journal of Chemical Theory and Computation|July 11, 2022
Basis Set Selection for Molecular Core-Level <i>GW</i> CalculationsDaniel Mejia-Rodriguez, Alexander Kunitsa, Edoardo Aprà, et al.
Chemsuschem|May 30, 2013
Computational approaches to the chemical conversion of carbon dioxideDaojian Cheng, Fabio R Negreiros, Edoardo Aprà, et al.
Pageof 5