N. D. Coutinho

A novel assessment of the role of the methyl radical and water formation channel in the CH3OH + H reaction.

Flávio O. Sanches-Neto, N. D. Coutinho, V. H. Carvalho-Silva, 2017, Physical chemistry chemical physics : PCCP.

From the Kinetic Theory of Gases to the Kinetics of Rate Processes: On the Verge of the Thermodynamic and Kinetic Limits

V. Aquilanti, N. D. Coutinho, V. H. Carvalho-Silva, 2020, Molecules.

Temperature Dependence of Rate Processes Beyond Arrhenius and Eyring: Activation and Transitivity

V. Aquilanti, N. D. Coutinho, V. H. Carvalho-Silva, 2019, Front. Chem..

Temperature dependence of rate constants for the H(D) + CH4 reaction in gas and aqueous phase: deformed Transition-State Theory study including quantum tunneling and diffusion effects

Flávio O. Sanches-Neto, N. D. Coutinho, V. H. Carvalho-Silva, 2019, Structural Chemistry.

Rate constants and first-principles trajectories for attack at tetrahedral carbon: Role of molecular orientation on chiral selectivity

A. Lombardi, N. D. Coutinho, V. H. Carvalho-Silva, 2019, PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2019 (ICCMSE-2019).

Amino–Imino Tautomerism in the Salt Formation of Albendazole: Hydrobromide and Nitrate Salts

J. Ellena, C. Ribeiro, N. D. Coutinho, 2021 .

Topography of the free energy landscape of Claisen-Schmidt condensation: solvent and temperature effects on the rate-controlling step.

H. G. Machado, N. D. Coutinho, V. H. Carvalho-Silva, 2021, Physical chemistry chemical physics : PCCP.

Effect of the methanol molecule on the stabilization of C₁₈H₁₈O₄ crystal: combined theoretical and structural investigation.

J. Ellena, N. D. Coutinho, H. Napolitano, 2014, The journal of physical chemistry. A.

Nucleophilic substitution vs elimination reaction of bisulfide ions with substituted methanes: exploration of chiral selectivity by stereodirectional first-principles dynamics and transition state theory

A. Lombardi, N. D. Coutinho, V. H. Carvalho-Silva, 2019, Journal of Molecular Modeling.

First-Principles Molecular Dynamics and Computed Rate Constants for the Series of OH-HX Reactions (X = H or the Halogens): Non-Arrhenius Kinetics, Stereodynamics and Quantum Tunnel

Vincenzo Aquilanti, Valter H. Carvalho-Silva, Nayara D. Coutinho, 2018, ICCSA.

Chemical Kinetics under extreme conditions: exact, phenomenological, and first-principles computational appraches

V. Aquilanti, N. D. Coutinho, D. Fazio, 2019 .

Kinetics of low-temperature transitions and a reaction rate theory from non-equilibrium distributions

Vincenzo Aquilanti, V. Aquilanti, N. D. Coutinho, 2017, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences.