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António J. C. Varandas

University of Coimbra
Qufu Normal University

36

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1262

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Accurate DMBE potential-energy surface for CNO(2A″) and rate coefficients in C(3P)+NO collisions.

2021 Journal of Chemical Physics
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Canonical and explicitly-correlated coupled cluster correlation energies of sub-kJ/mol accuracy via cost-effective hybrid-post-CBS extrapolation

2021 Physical Chemistry Chemical Physics
- António J. C. Varandas
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A further look at the Li+HCl→LiCl+H reaction

2021 Chemical Physics Letters
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Modelling adiabatic cusps in via 2 × 2 diabatic matrix

2021 Molecular Physics
- F. George D. Xavier
- António J. C. Varandas
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Dynamical calculations of O(3P) + OH(2Π) reaction on the CHIPR potential energy surface using the fully coupled time-dependent wave-packet approach in hyperspherical coordinates.

2021 Physical Chemistry Chemical Physics
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Quantum and Classical Dynamics of the N(2D) + N2 Reaction on Its Ground Doublet State N3(12A″) Potential Energy Surface.

2021 Journal of Physical Chemistry A
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MP2 versus density functional theory calculations in CO2‐sequestration reactions with anions: Basis set extrapolation and solvent effects

2020 International Journal of Quantum Chemistry
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Molecular orbital versus DFT calculations in CO2-sequestration reactions with anions: Basis set extrapolation and solvent effects

2020
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Canonical versus explicitly correlated coupled cluster: Post‐complete‐basis‐set extrapolation and the quest of the complete‐basis‐set limit

2020 International Journal of Quantum Chemistry
- António J. C. Varandas
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Accurate Potential Energy Surface for Quartet State HN2 and Interplay of N(4S)+NH(X̃ 3Σ−) versus H+N2 (A 3Σ+u ) Reactions

2020 Journal of Physical Chemistry A
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