Gabriella Capecchi

University of Turin — Italy

Physics and Astronomy · Physical Sciences

15h-index919citations21works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(18), Spectroscopy and Quantum Chemical Studies(12), Quantum, superfluid, helium dynamics(8), Spectroscopy and Laser Applications(5), Photochemistry and Electron Transfer Studies(2)

Publications21 total

Adsorption of CH3 COOH on TiO2: IR and theoretical investigations
Research on Chemical Intermediates·2006· 24 cited
Computational aspects of a local-MP2 treatment of electron correlation in periodic systems: SiC vs BeS
Molecular Physics·2005· 10 cited
Local-MP2 electron correlation method for nonconducting crystals
The Journal of Chemical Physics·2005· 199 cited
Rotational and alignment effects in a wave packet calculation for the Cl + H<sub>2</sub> reaction
International Journal of Quantum Chemistry·2004· 18 cited
Details and consequences of the nonadiabatic coupling in the Cl(<sup>2</sup>P) + H<sub>2</sub>reaction
Faraday Discussions·2004· 56 cited
Ab initio calculations of coupled potential energy surfaces for the Cl(2P3/2,2P1/2)+ H2 reaction
Physical Chemistry Chemical Physics·2004· 75 cited
The dynamics of the prototype abstraction reaction Cl(2P3/2,1/2)+ H2: A comparison of crossed molecular beam experiments with exact quantum scattering calculations on coupled ab initio potential energy surfaces
Physical Chemistry Chemical Physics·2004· 38 cited
Rotational and alignment effects in a multisurface wavepacket calculation for the Cl + H<sub>2</sub>reaction
Physical Chemistry Chemical Physics·2004· 15 cited
The effect of spin–orbit coupling on the thermal rate constant of the H<sub>2</sub>+ Cl → H + HCl reaction
Physical Chemistry Chemical Physics·2004· 27 cited
Wave packet calculations for the Cl + H<sub>2</sub> reaction
International Journal of Quantum Chemistry·2003· 28 cited
Differential Cross Sections from Quantum Calculations on Coupled<i>Ab Initio</i>Potential Energy Surfaces and Scattering Experiments for<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi mathvariant="normal">C</mml:mi><mml:mi mathvariant="normal">l</mml:mi><mml:mo stretchy="false">(</mml:mo><mml:mmultiscripts><mml:mi>P</mml:mi><mml:mprescripts/><mml:none/><mml:mn>2</mml:mn></mml:mmultiscripts><mml:mo stretchy="false">)</mml:mo><mml:mo>+</mml:mo><mml:msub><mml:mi mathvariant="normal">H</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math>Reactions
Physical Review Letters·2003· 58 cited
The dynamics of prototype abstraction reactions: Crossed beam experiments and exact quantum scattering calculations on coupled ab initio potential energy surfaces for the reaction Cl( 2 P 3/2,1/2 )+H 2
2003
ChemInform Abstract: Theoretical Study of the Validity of the Born—Oppenheimer Approximation in the Cl + H<sub>2</sub>→HCl + H Reaction.
ChemInform·2002
Theoretical Study of the Validity of the Born-Oppenheimer Approximation in the Cl + H <sub>2</sub> → HCl + H Reaction
Science·2002· 150 cited
<i>Ab initio</i> dynamics of the He + H <sup>+</sup> <sub>2</sub> → HeH <sup>+</sup> +H reaction: a new potential energy surface and quantum mechanical cross-sections
Molecular Physics·2000· 76 cited
Harmonic analysis and discrete polynomials. From semiclassical angular momentum theory to the hyperquantization algorithm
Theoretical Chemistry Accounts·2000· 30 cited
The He + H2+ reaction: a dynamical test on potential energy surfaces for a system exhibiting a pronounced resonance pattern
Chemical Physics Letters·2000· 71 cited
Representation of potential energy surfaces by discrete polynomials: proton transfer in malonaldehyde
Physical Chemistry Chemical Physics·2000· 10 cited
Hyperspherical coordinates for chemical reaction dynamics
Advances in quantum chemistry·2000· 19 cited
Development and validation of force-field parameters for molecular simulations of peptides and proteins containing open-shell residues
Journal of Computational Chemistry·1997· 14 cited
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Frequent Co-authors

Hans‐Joachim Werner(11), Vincenz̊o Aquilanti(5), Millard H. Alexander(4), Simonetta Cavalli(4), Dimitris Skouteris(4), Nadia Balucani(3), Giovanni Capozza(3), Enrico Segoloni(3), Piergiorgio Casavecchia(3), Antonio Laganà(3), C. Pisani(2), Silvia Casassa(2), Lorenzo Maschio(2), Paolo Palmieri(2), Cristina Puzzarini(2), Dario De Fazio(2), Antonio Aguilar(2), Xavier Giménez(2), J. M. Lucas(2), Dimitrios Skouteris(2)