31
TITLE: Can the quasi-molecule concept help in deciphering planarity? The case of polycyclic aromatic hydrocarbons  Full Text
AUTHORS: Varandas, Antonio J. C.;
PUBLISHED: 2022, SOURCE: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 123, ISSUE: 4
INDEXED IN: Scopus WOS CrossRef: 4
IN MY: ORCID
32
TITLE: Scale-free-modeling (harmonic) vibrational frequencies: Assessing accuracy and cost-effectiveness by CBS extrapolation  Full Text
AUTHORS: Varandas, A. J. C.;
PUBLISHED: 2022, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 157, ISSUE: 17
INDEXED IN: WOS CrossRef: 5
IN MY: ORCID
33
TITLE: A general code for fitting global potential energy surfaces via CHIPR method: Direct-Fit Diatomic and tetratomic molecules  Full Text
AUTHORS: Rocha, CMR; Varandas, AJC;
PUBLISHED: 2021, SOURCE: COMPUTER PHYSICS COMMUNICATIONS, VOLUME: 258
INDEXED IN: Scopus WOS CrossRef: 17
IN MY: ORCID
34
TITLE: MP2 versus density functional theory calculations in CO2-sequestration reactions with anions: Basis set extrapolation and solvent effects  Full Text
AUTHORS: Quattrociocchi, DGS; de Oliveira, AR; Carneiro, JWD; Rocha, CMR; Varandas, AJC;
PUBLISHED: 2021, SOURCE: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 121, ISSUE: 8
INDEXED IN: Scopus WOS CrossRef: 4
IN MY: ORCID
35
TITLE: Accurate DMBE potential-energy surface for CNO((2)A '') and rate coefficients in C(P-3)+NO collisions  Full Text
AUTHORS: Alves, MO; Goncalves, CEM; Braga, JP; Mota, VC; Varandas, AJC; Galvao, BRL;
PUBLISHED: 2021, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 154, ISSUE: 3
INDEXED IN: Scopus WOS CrossRef: 3
IN MY: ORCID
36
TITLE: Modelling adiabatic cusps in HO2+ via 2 x 2 diabatic matrix  Full Text
AUTHORS: Xavier, FGD; Varandas, AJC;
PUBLISHED: 2021, SOURCE: MOLECULAR PHYSICS, VOLUME: 119, ISSUE: 10
INDEXED IN: Scopus WOS CrossRef: 7
IN MY: ORCID
38
TITLE: Canonical and explicitly-correlated coupled cluster correlation energies of sub-kJ mol(-1) accuracy via cost-effective hybrid-post-CBS extrapolation  Full Text
AUTHORS: Varandas, AJC;
PUBLISHED: 2021, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 23, ISSUE: 15
INDEXED IN: Scopus WOS CrossRef: 15
IN MY: ORCID
39
TITLE: GAME MECHANICS FOR STORYTELLING TO SUPPORT STUDENTS WITH DYSLEXIA: TEACHERS AND STUDENTS' PERSPECTIVES
AUTHORS: Campos, JB; Almeida, AMP;
PUBLISHED: 2021, SOURCE: REVISTA PRAXIS EDUCACIONAL, VOLUME: 17, ISSUE: 45
INDEXED IN: WOS
40
TITLE: Quantum and Classical Dynamics of the N(D-2) + N-2 Reaction on Its Ground Doublet State N-3(1(2)A '') Potential Energy Surface
AUTHORS: Korutla, S; Koner, D; Varandas, AJC; Tammineni, RR;
PUBLISHED: 2021, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 125, ISSUE: 25
INDEXED IN: Scopus WOS CrossRef: 5
IN MY: ORCID
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