Search Results - "Skouteris, Dimitris"

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  1. 1

    An Experimental and Theoretical Investigation of 1-Butanol Pyrolysis by Rosi, Marzio, Skouteris, Dimitris, Balucani, Nadia, Nappi, Caterina, Faginas Lago, Noelia, Pacifici, Leonardo, Falcinelli, Stefano, Stranges, Domenico

    Published in Frontiers in chemistry (14-05-2019)
    “…Bioalcohols are a promising family of biofuels. Among them, 1-butanol has a strong potential as a substitute for petrol. In this manuscript, we report on a…”
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    Journal Article
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    van der Waals Interactions in the Cl + HD Reaction by Skouteris, Dimitris, Manolopoulos, David E., Bian, Wensheng, Werner, Hans-Joachim, Lai, Lih-Huey, Liu, Kopin

    “…The van der Waals forces in the entrance valley of the Cl + HD reaction are shown here to play a decisive role in the reaction's dynamics. Exact quantum…”
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    Microscopic branching processes: The O + O2 reaction and its relaxed potential representations by Rampino, Sergio, Skouteris, Dimitris, Laganà, Antonio

    Published in International journal of quantum chemistry (01-02-2010)
    “…An analysis of the O3 DMBE potential energy surface is performed using unconventional contour maps. In this way alternative paths leading to the same products…”
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    Non-Born–Oppenheimer MCTDH calculations on the confined H 2 + molecular ion by Skouteris, Dimitris, Gervasi, Osvaldo, Laganà, Antonio

    Published in Chemical physics letters (10-11-2010)
    “…[Display omitted] ►Multi-configuration time-dependent Hartree method. ►Going beyond the Born–Oppenheimer approximation. ►Explicit dynamical calculations on…”
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    The O + O2 reaction: quantum detailed probabilities and thermal rate coefficients by Rampino, Sergio, Skouteris, Dimitris, Laganà, Antonio

    Published in Theoretical chemistry accounts (01-06-2009)
    “…The detailed quantum probabilities of the O + O 2 reactive system have been computed at zero total angular momentum using the time-independent quantum program…”
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    Microscopic branching processes: The O + O 2 reaction and its relaxed potential representations by Rampino, Sergio, Skouteris, Dimitris, Laganà, Antonio

    Published in International journal of quantum chemistry (01-02-2010)
    “…Abstract An analysis of the O 3 DMBE potential energy surface is performed using unconventional contour maps. In this way alternative paths leading to the same…”
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    Journal Article
  9. 9

    Correlation of attack and recoil angles for the Li + HF reaction: An exact quantum mechanical study at low and high total angular momentum by Skouteris, Dimitris, Crocchianti, Stefano, Laganà, Antonio

    Published in Chemical physics (16-06-2008)
    “…The total angular momentum ( J = 1, 10) S matrix elements of the Li + HF reaction have been calculated using a time independent method, and matrix transformed…”
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  10. 10

    Quantum mechanical study of the correlation of attack and recoil angles for the Li + HF reaction: Stereodirected versus discrete variable representations by Skouteris, Dimitris, Crocchianti, Stefano, Laganà, Antonio

    Published in Chemical physics letters (25-05-2007)
    “…A correlation between attack and recoil angles for the Li + HF reaction. The zero total angular momentum ( J = 0) S matrix elements, calculated using a time…”
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    Resonance-mediated chemical reaction: F+HD-->HF+D by Skodje, RT, Skouteris, D, Manolopoulos, DE, Lee, SH, Dong, F, Liu, K

    Published in Physical review letters (07-08-2000)
    “…Conclusive evidence is presented for the existence of a reactive resonance in the F+HD reaction. In a molecular beam experiment, the resonance appears in the…”
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    A program for performing exact quantum dynamics calculations using cylindrical polar coordinates: A nanotube application by Skouteris, Dimitris, Gervasi, Osvaldo, Laganà, Antonio

    Published in Computer physics communications (01-03-2009)
    “…A program that uses the time-dependent wavepacket method to study the motion of structureless particles in a force field of quasi-cylindrical symmetry is…”
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    Wave packet calculations for the Cl + H2 reaction by Skouteris, Dimitris, Laganà, Antonio, Capecchi, Gabriella, Werner, Hans-Joachim

    “…Time‐dependent quantum mechanical calculations have been carried out to estimate the convergence with the total angular momentum quantum number J of the…”
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    Time-dependent wavepacket calculations for the system on a LEPS surface: inelastic and reactive probabilities by Skouteris, Dimitris, Pacifici †, Leonardo, Laganà ‡, Antonio

    Published in Molecular physics (10-11-2004)
    “…A time-dependent wavepacket program has been used to determine rotationally and vibrationally inelastic and reactive probabilities for collisions between a N…”
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  19. 19

    Wave packet calculations for the Cl + H 2 reaction by Skouteris, Dimitris, Laganà, Antonio, Capecchi, Gabriella, Werner, Hans‐Joachim

    Published in International journal of quantum chemistry (20-02-2004)
    “…Abstract Time‐dependent quantum mechanical calculations have been carried out to estimate the convergence with the total angular momentum quantum number J of…”
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    Rotational and alignment effects in a wave packet calculation for the Cl + H2 reaction by Skouteris, Dimitris, Laganà, Antonio, Capecchi, Gabriella, Werner, Hans-Joachim

    “…Time‐dependent quantum mechanical calculations have been carried out for a total angular momentum J = 0 to determine the distribution among product…”
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