Antonio Joaquim Campos Varandas
AuthID: R-000-22Z
51
TITLE: CBS extrapolation of Hartree-Fock energy: Pople and Dunning basis sets hand-to-hand on the endeavour Full Text
AUTHORS: Varandas, AJC;
PUBLISHED: 2019, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 21, ISSUE: 15
AUTHORS: Varandas, AJC;
PUBLISHED: 2019, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 21, ISSUE: 15
52
TITLE: Optimal basis sets for CBS extrapolation of the correlation energy: oVxZ and oV(x plus d)Z Full Text
AUTHORS: Varandas, AJC; Pansini, FNN;
PUBLISHED: 2019, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 150, ISSUE: 15
AUTHORS: Varandas, AJC; Pansini, FNN;
PUBLISHED: 2019, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 150, ISSUE: 15
53
TITLE: A trajectory surface hopping study of N-2(A(3)Sigma(+)(u)) quenching by H atoms Full Text
AUTHORS: Borges, YG; Galvao, BRL; Mota, VC; Varandas, AJC;
PUBLISHED: 2019, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 729
AUTHORS: Borges, YG; Galvao, BRL; Mota, VC; Varandas, AJC;
PUBLISHED: 2019, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 729
INDEXED IN: 
Scopus 
WOS
Scopus WOS54
TITLE: Accurate CHIPR Potential Energy Surface for the Lowest Triplet State of C-3
AUTHORS: Rocha, CMR; Varandas, AJC;
PUBLISHED: 2019, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 123, ISSUE: 38
AUTHORS: Rocha, CMR; Varandas, AJC;
PUBLISHED: 2019, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 123, ISSUE: 38
55
TITLE: Quasiclassical Study of the C(P-3) + NO(X-2 Pi) and O(P-3) + CN(X-2 Sigma(+)) Collisional Processes on an Accurate DMBE Potential Energy Surface
AUTHORS: Alves, MV; Goncalves, CEM; Braga, JP; Mota, VC; Varandas, AJC; Galvao, BRL;
PUBLISHED: 2019, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 123, ISSUE: 33
AUTHORS: Alves, MV; Goncalves, CEM; Braga, JP; Mota, VC; Varandas, AJC; Galvao, BRL;
PUBLISHED: 2019, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 123, ISSUE: 33
56
TITLE: Fully coupled (J > 0) time-dependent wave-packet calculations using hyperspherical coordinates for the H + O-2 reaction on the CHIPR potential energy surface Full Text
AUTHORS: Ghosh, S; Sharma, R; Adhikari, S; Varandas, AJC;
PUBLISHED: 2019, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 21, ISSUE: 36
AUTHORS: Ghosh, S; Sharma, R; Adhikari, S; Varandas, AJC;
PUBLISHED: 2019, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 21, ISSUE: 36
57
TITLE: A global CHIPR potential energy surface for ground-state C3H and exploratory dynamics studies of reaction C-2 + CH -> C-3 + H Full Text
AUTHORS: Rocha, CMR; Varandas, AJC;
PUBLISHED: 2019, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 21, ISSUE: 44
AUTHORS: Rocha, CMR; Varandas, AJC;
PUBLISHED: 2019, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 21, ISSUE: 44
58
TITLE: Optimal diffuse augmented atomic basis sets for extrapolation of the correlation energy Full Text
AUTHORS: Antonio J C Varandas; Fernando N N Pansini;
PUBLISHED: 2019, SOURCE: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
AUTHORS: Antonio J C Varandas; Fernando N N Pansini;
PUBLISHED: 2019, SOURCE: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
INDEXED IN: WOS
WOS59
TITLE: 3D time-dependent wave-packet approach in hyperspherical coordinates for the H + O-2 reaction on the CHIPR and DMBE IV potential energy surfaces Full Text
AUTHORS: Sandip Ghosh; Rahul Sharma; Satrajit Adhikari; Antonio J C Varandas;
PUBLISHED: 2018, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 20, ISSUE: 1
AUTHORS: Sandip Ghosh; Rahul Sharma; Satrajit Adhikari; Antonio J C Varandas;
PUBLISHED: 2018, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 20, ISSUE: 1
INDEXED IN: Scopus WOS
Scopus WOS60
TITLE: Accurate ab initio potential for HO2+: CBS extrapolated energies and direct-fit diatomic curves Full Text
AUTHORS: George G D Xavier; Marco Martinez Gonzalez; Varandas, AJC;
PUBLISHED: 2018, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 691
AUTHORS: George G D Xavier; Marco Martinez Gonzalez; Varandas, AJC;
PUBLISHED: 2018, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 691
INDEXED IN: WOS
WOS