Sfoglia per Autore
General Discussion
2012 J. M., Bowman; D. M., Neumark; R., Welsch; R., Wester; D. J., Nesbitt; S. E., Bradforth; M. N. R., Ashfold; S. H., Kable; D., Glowacki; D. G., Truhlar; N., Balucani; A., Lagana; T. J., Martinez; A., Wodtke; T. M., Bernhardt; A. J., Orr Ewing; R., Wester; Skouteris, Dimitrios; D. W., Chandler; M., Gruebele; D. J., Nesbitt; N., Huse; S., Harris
Combined crossed beam and theoretical studies of the C(1D)+CH4 reaction
2013 Francesca, Leonori; Skouteris, Dimitrios; Raffaele, Petrucci; Piergiorgio, Casavecchia; Marzio, Rosi; Nadia, Balucani1
MCTDH calculations on the rigid OH radical moving along a (10,0) carbon nanotube
2013 Skouteris, Dimitrios; Lagana, A.
Electronuclear multiconfiguration time-dependent hartree calculations on the confined H atom with mobile electron and nucleus
2013 Skouteris, Dimitrios; Lagana, A.
An approximate quantum mechanical study of the N + O -> NO+ + e- associative ionisation
2013 Skouteris, Dimitrios; Lagana, A; Pirani, F.
A new Gaussian MCTDH program: implementation and validation on the levels of the water and glycine molecules
2014 Skouteris, Dimitrios; Barone, Vincenzo
High-Accuracy Vibrational Computations for Transition-Metal Complexes Including Anharmonic Corrections: Ferrocene, Ruthenocene, and Osmocene as Test Cases
2014 Latouche, Camille; Palazzetti, Federico; Skouteris, Dimitrios; Barone, Vincenzo
CYANOMETHANIMINE ISOMERS IN COLD INTERSTELLAR CLOUDS: INSIGHTS FROM ELECTRONIC STRUCTURE AND KINETIC CALCULATIONS
2015 Vazart, Fanny; Latouche, Camille; Skouteris, Dimitrios; Balucani, Nadia; Barone, Vincenzo
Dimerization of methanimine and its charged species in the atmosphere of Titan and interstellar/cometary ice analogs
2015 Skouteris, Dimitrios; Balucani, Nadia; Faginas Lago, Noelia; Falcinelli, Stefano; Rosi, Marzio
Gas phase formation of the prebiotic molecule formamide: insights from new quantum computations
2015 Barone, Vincenzo; Latouche, Camille; Skouteris, Dimitrios; Vazart, Fanny; Balucani, Nadia; Ceccarelli, C.; Lefloch, B.
TD-DFT Benchmark on Inorganic Pt(II) and Ir(III) Complexes
2015 Latouche, Camille; Skouteris, Dimitrios; Palazzetti, Federico; Barone, Vincenzo
A combined crossed molecular beams and theoretical study of the reaction CN + C2H4
2015 Balucani, Nadia; Leonori, Francesca; Petrucci, Raffaele; Wang, Xingan; Casavecchia, Piergiorgio; Skouteris, Dimitrios; Albernaz, Alessandra F.; Gargano, Ricardo
Reassessment of the Thermodynamic, Kinetic, and Spectroscopic Features of Cyanomethanimine Derivatives: A Full Anharmonic Perturbative Treatment
2015 Vazart, Fanny; Calderini, Danilo; Skouteris, Dimitrios; Latouche, Camille; Barone, Vincenzo
Nonadiabatic photodynamics of phenol on a realistic potential energy surface by a novel multilayer Gaussian MCTDH program
2015 Skouteris, Dimitrios; Barone, Vincenzo
On a Coupled System of Shallow Water Equations Admitting Travelling Wave Solutions
2015 Burini, D.; DE LILLO, Silvana; Skouteris, Dimitrios
Time-dependent calculations on systems of chemical interest: Dynamical and kinetic approaches
2016 Skouteris, Dimitrios
Methods for Calculating Partition Functions of Molecules Involving Large Amplitude and/or Anharmonic Motions
2016 Skouteris, Dimitrios; Calderini, Danilo; Barone, Vincenzo
Analysis of Partition Functions for Metallocenes: Ferrocene, Ruthenocene, and Osmocene
2016 Ferreira da Cunha, T; Calderini, Danilo; Skouteris, Dimitrios
A diabatic electronic state system to describe the internal conversion of azulene
2017 Banerjee, Shiladitya; Skouteris, Dimitrios; Barone, Vincenzo
New quantum chemical computations of formamide deuteration support a gas-phase formation of this prebiotic molecule
2017 Skouteris, D.; Vazart, F.; Ceccarelli, C.; Balucani, N.; Puzzarini, C.; Barone, V.
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