Antonio Joaquim Campos Varandas
AuthID: R-000-22Z
51
TITLE: Extrapolation in quantum chemistry: Insights on energetics and reaction dynamics
AUTHORS: Varandas, AJC;
PUBLISHED: 2020, SOURCE: JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, VOLUME: 19, ISSUE: 7
AUTHORS: Varandas, AJC;
PUBLISHED: 2020, SOURCE: JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, VOLUME: 19, ISSUE: 7
INDEXED IN: 
Scopus 
WOS
Scopus WOS52
TITLE: Canonical versus explicitly correlated coupled cluster: Post-complete-basis-set extrapolation and the quest of the complete-basis-set limit Full Text
AUTHORS: Varandas, AJC;
PUBLISHED: 2020, SOURCE: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 121, ISSUE: 9
AUTHORS: Varandas, AJC;
PUBLISHED: 2020, SOURCE: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 121, ISSUE: 9
53
TITLE: Difficulties and Virtues in Assessing the Potential Energy Surfaces of Carbon Clusters via DMBE Theory: Stationary Points of C-kappa (kappa=2-10) at the Focal Point
AUTHORS: Rocha, CMR; Li, J; Varandas, AJC;
PUBLISHED: 2019, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 123, ISSUE: 14
AUTHORS: Rocha, CMR; Li, J; Varandas, AJC;
PUBLISHED: 2019, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 123, ISSUE: 14
54
TITLE: Global potential energy surface for HO 2 + Using the CHIPR Method
AUTHORS: Xavier, FGD; González, MM; Varandas, AJC;
PUBLISHED: 2019, SOURCE: Journal of Physical Chemistry A, VOLUME: 123, ISSUE: 8
AUTHORS: Xavier, FGD; González, MM; Varandas, AJC;
PUBLISHED: 2019, SOURCE: Journal of Physical Chemistry A, VOLUME: 123, ISSUE: 8
55
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
56
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
57
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 WOS58
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
59
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
60
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
