D. Skouteris

发表

CYANOMETHANIMINE ISOMERS IN COLD INTERSTELLAR CLOUDS: INSIGHTS FROM ELECTRONIC STRUCTURE AND KINETIC CALCULATIONS

V. Barone, N. Balucani, F. Vazart, 2015 .

Gas-phase formation of the prebiotic molecule formamide: insights from new quantum computations

V. Barone, C. Ceccarelli, N. Balucani, 2015, 1507.03741.

MCTDH calculations on the rigid OH radical moving along a (10,0) carbon nanotube

A. Laganà, D. Skouteris, 2013 .

Combined crossed beam and theoretical studies of the N(2D) + C2H4 reaction and implications for atmospheric models of Titan.

M. Rosi, N. Balucani, W. Geppert, 2012, The journal of physical chemistry. A.

TD-DFT Benchmark on Inorganic Pt(II) and Ir(III) Complexes.

V. Barone, C. Latouche, D. Skouteris, 2015, Journal of chemical theory and computation.

Time‐dependent calculations on systems of chemical interest: Dynamical and kinetic approaches

D. Skouteris, 2016 .

Unsaturated Dinitriles Formation Routes in Extraterrestrial Environments: A Combined Experimental and Theoretical Investigation of the Reaction between Cyano Radicals and Cyanoethene (C2H3CN)

F. Pirani, M. Rosi, N. Balucani, 2022, The journal of physical chemistry. A.

Quantum Mechanical Simulations of the Radical–Radical Chemistry on Icy Surfaces

C. Ceccarelli, P. Ugliengo, A. Rimola, 2022, The Astrophysical Journal Supplement Series.

Reactivity of HCO with CH3 and NH2 on Water Ice Surfaces. A Comprehensive Accurate Quantum Chemistry Study

C. Ceccarelli, P. Ugliengo, A. Rimola, 2019, ACS Earth and Space Chemistry.

Reaction N(2D) + CH2CCH2 (Allene): An Experimental and Theoretical Investigation and Implications for the Photochemical Models of Titan

M. Rosi, M. Dobrijevic, N. Balucani, 2022, ACS earth & space chemistry.

The N(2D) + CH2CHCN (Vinyl Cyanide) Reaction: A Combined Crossed Molecular Beam and Theoretical Study and Implications for the Atmosphere of Titan

M. Rosi, N. Balucani, D. Skouteris, 2022, The journal of physical chemistry. A.

An approximate quantum mechanical study of the N + O → NO+ + e− associative ionisation

F. Pirani, A. Laganà, D. Skouteris, 2013 .

Probing the Chemistry of P-Bearing Molecules in Interstellar Environments and other Extraterrestrial Environments

C. Ceccarelli, M. Rosi, N. Balucani, 2020 .

High-Accuracy Vibrational Computations for Transition-Metal Complexes Including Anharmonic Corrections: Ferrocene, Ruthenocene, and Osmocene as Test Cases.

V. Barone, C. Latouche, D. Skouteris, 2014, Journal of chemical theory and computation.

A Diabatic Electronic State System to Describe the Internal Conversion of Azulene

Vincenzo Barone, Dimitrios Skouteris, Shiladitya Banerjee, 2017, ICCSA.

Gas-phase formation of acetaldehyde: review and new theoretical computations

C. Ceccarelli, N. Balucani, F. Vazart, 2020, 2010.02718.

Electronuclear multiconfiguration time-dependent hartree calculations on the confined H atom with mobile electron and nucleus

Antonio Laganà, Dimitrios Skouteris, A. Laganà, 2013 .

The Genealogical Tree of Ethanol: Gas-phase Formation of Glycolaldehyde, Acetic Acid, and Formic Acid

V. Barone, C. Ceccarelli, N. Balucani, 2017, 1712.08938.

The Ethanol Tree: Gas-Phase Formation Routes for Glycolaldehyde, Its Isomer Acetic Acid and Formic Acid

Nadia Balucani, Cecilia Ceccarelli, Dimitrios Skouteris, 2018, ICCSA.

Interstellar dimethyl ether gas-phase formation: a quantum chemistry and kinetics study

C. Ceccarelli, M. Rosi, N. Balucani, 2018, Monthly Notices of the Royal Astronomical Society.

Dimerization of methanimine and its charged species in the atmosphere of Titan and interstellar/cometary ice analogs

Marzio Rosi, Stefano Falcinelli, Nadia Balucani, 2015 .

Low temperature kinetics and theoretical studies of the reaction CN + CH3NH2: a potential source of cyanamide and methyl cyanamide in the interstellar medium.

Marzio Rosi, Nadia Balucani, Dimitrios Skouteris, 2018, Physical chemistry chemical physics : PCCP.

The H + Li2 bimolecular exchange reaction: dynamical and kinetical properties at J = 0.

D. Skouteris, J. Martins, R. Gargano, 2012, The Journal of chemical physics.

Semiempirical Potential in Kinetics Calculations on the HC3N + CN Reaction

F. Pirani, M. Rosi, D. Skouteris, 2022, Molecules.

The Reaction N(2D) + CH3CCH (Methylacetylene): A Combined Crossed Molecular Beams and Theoretical Investigation and Implications for the Atmosphere of Titan

M. Rosi, N. Balucani, D. Skouteris, 2021, The journal of physical chemistry. A.

A Computational Study on the Attack of Nitrogen and Oxygen Atoms to Toluene

Marzio Rosi, Stefano Falcinelli, Nadia Balucani, 2021, ICCSA.

A Computational Study on the Insertion of N(2D) into a C—H or C—C Bond: The Reactions of N(2D) with Benzene and Toluene and Their Implications on the Chemistry of Titan

Marzio Rosi, Stefano Falcinelli, Nadia Balucani, 2020, ICCSA.

A Computational Study of the Reaction Cyanoacetylene and Cyano Radical Leading to 2-Butynedinitrile and Hydrogen Radical

Marzio Rosi, Nadia Balucani, Noelia Faginas Lago, 2020, ICCSA.

A Theoretical Investigation of the Reaction Between Glycolaldehyde and H+ and Implications for the Organic Chemistry of Star Forming Regions

Marzio Rosi, Nadia Balucani, Cecilia Ceccarelli, 2020, ICCSA.

A Theoretical Investigation of the Reactions of N(2D) with Small Alkynes and Implications for the Prebiotic Chemistry of Titan

Marzio Rosi, Nadia Balucani, Dimitrios Skouteris, 2020, ICCSA.

Electronic Structure and Kinetics Calculations for the Si+SH Reaction, a Possible Route of SiS Formation in Star-Forming Regions

Marzio Rosi, Nadia Balucani, Noelia Faginas Lago, 2019, ICCSA.

A Computational Study of the Reaction N(2D) + C6H6 Leading to Pyridine and Phenylnitrene

Marzio Rosi, Stefano Falcinelli, Nadia Balucani, 2019, ICCSA.

A theoretical investigation of the reaction between the amidogen, NH, and the ethyl, C2H5, radicals: a possible gas-phase formation route of interstellar and planetary ethanimine

C. Ceccarelli, M. Rosi, N. Balucani, 2018, Molecular Astrophysics.

A Theoretical Investigation of the Reaction H+SiS2 and Implications for the Chemistry of Silicon in the Interstellar Medium

Marzio Rosi, Nadia Balucani, Noelia Faginas Lago, 2018, ICCSA.

A Theoretical Investigation of the Reaction N(2D) + C6H6 and Implications for the Upper Atmosphere of Titan

Marzio Rosi, Nadia Balucani, Dimitrios Skouteris, 2018, ICCSA.

Formation of Nitrogen-Bearing Organic Molecules in the Reaction NH + C2H5: A Theoretical Investigation and Main Implications for Prebiotic Chemistry in Space

Marzio Rosi, Stefano Falcinelli, Nadia Balucani, 2018, ICCSA.

Possible scenarios for SiS formation in the interstellar medium: Electronic structure calculations of the potential energy surfaces for the reactions of the SiH radical with atomic sulphur and S 2

Marzio Rosi, Nadia Balucani, Noelia Faginas Lago, 2018 .

New quantum chemical computations of formamide deuteration support gas-phase formation of this prebiotic molecule

V. Barone, C. Ceccarelli, N. Balucani, 2017, 1701.06138.

State-of-the-Art Thermochemical and Kinetic Computations for Astrochemical Complex Organic Molecules: Formamide Formation in Cold Interstellar Clouds as a Case Study.

V. Barone, C. Puzzarini, F. Vazart, 2016, Journal of chemical theory and computation.

A Theoretical Study on the Relevance of Protonated and Ionized Species of Methanimine and Methanol in Astrochemistry

Marzio Rosi, Stefano Falcinelli, Nadia Balucani, 2016, ICCSA.

Methods for Calculating Partition Functions of Molecules Involving Large Amplitude and/or Anharmonic Motions.

V. Barone, D. Skouteris, D. Calderini, 2016, Journal of chemical theory and computation.

Combined crossed beam and theoretical studies of the C(1D) + CH4 reaction.

Marzio Rosi, Nadia Balucani, Dimitrios Skouteris, 2013, The Journal of chemical physics.

Quantum Chemical Computations of Gas-phase Glycolaldehyde Deuteration and Constraints on Its Formation Route

C. Ceccarelli, N. Balucani, F. Vazart, 2022, The Astrophysical Journal.

Can Formamide Be Formed on Interstellar Ice? An Atomistic Perspective

C. Ceccarelli, P. Ugliengo, A. Rimola, 2018, ACS Earth and Space Chemistry.

Nonadiabatic photodynamics of phenol on a realistic potential energy surface by a novel multilayer Gaussian MCTDH program.

V. Barone, D. Skouteris, 2015, Chemical physics letters.

A new Gaussian MCTDH program: implementation and validation on the levels of the water and glycine molecules.

V. Barone, D. Skouteris, 2014, The Journal of chemical physics.

A combined crossed molecular beams and theoretical study of the reaction CN + C2H4

Nadia Balucani, Dimitrios Skouteris, Alessandra F. Albernaz, 2015 .

Reassessment of the Thermodynamic, Kinetic, and Spectroscopic Features of Cyanomethanimine Derivatives: A Full Anharmonic Perturbative Treatment.

V. Barone, F. Vazart, C. Latouche, 2015, Journal of chemical theory and computation.

Seeds of Life in Space (SOLIS) II. Formamide in protostellar shocks: Evidence for gas-phase formation

L. Bizzocchi, L. Testi, C. Favre, 2017, 1708.04663.

On the Grid Implementation of a Quantum Reactive Scattering Program

A. Costantini, A. Laganà, D. Skouteris, 2009 .

OH(2Π) + C2H4 Reaction: A Combined Crossed Molecular Beam and Theoretical Study

M. Rosi, N. Balucani, D. Skouteris, 2023, The journal of physical chemistry. A.

Investigating the Efficiency of Explosion Chemistry as a Source of Complex Organic Molecules in TMC-1

David A. Williams, S. Viti, J. Rawlings, 2019, The Astrophysical Journal.

Computational Science and Its Applications – ICCSA 2018

Osvaldo Gervasi, Yeonseung Ryu, Ana Maria A. C. Rocha David Taniar, 2018, Lecture Notes in Computer Science.