Antonio Joaquim Campos Varandas
AuthID: R-000-22Z
51
TITLE: Optimal diffuse augmented atomic basis sets for extrapolation of the correlation energy Full Text
AUTHORS: Varandas, AJC; Pansini, FNN;
PUBLISHED: 2020, SOURCE: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 120, ISSUE: 7
AUTHORS: Varandas, AJC; Pansini, FNN;
PUBLISHED: 2020, SOURCE: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 120, ISSUE: 7
52
TITLE: Role of Augmented Basis Sets and Quest for ab Initio Performance/Cost Alternative to Kohn-Sham Density Functional Theory
AUTHORS: Martínez González, M; Xavier, FGD; Li, J; Montero Cabrera, LA; Garcia De La Vega, JM; Varandas, AJC;
PUBLISHED: 2020, SOURCE: Journal of Physical Chemistry A, VOLUME: 124, ISSUE: 1
AUTHORS: Martínez González, M; Xavier, FGD; Li, J; Montero Cabrera, LA; Garcia De La Vega, JM; Varandas, AJC;
PUBLISHED: 2020, SOURCE: Journal of Physical Chemistry A, VOLUME: 124, ISSUE: 1
53
TITLE: Accurate Potential Energy Surface for Quartet State HN2 and Interplay of N(S-4) plus NH(X-3 Sigma(-)) versus H + N-2(A(3)Sigma(+)(u)) Reactions
AUTHORS: Mota, VC; Galvao, BRL; Coura, DVB; Varandas, AJC;
PUBLISHED: 2020, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 124, ISSUE: 5
AUTHORS: Mota, VC; Galvao, BRL; Coura, DVB; Varandas, AJC;
PUBLISHED: 2020, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 124, ISSUE: 5
54
TITLE: Effect of initial vibrational excitation on the methane cation sub-femtosecond photodynamics Full Text
AUTHORS: Mondal, T; Varandas, AJC;
PUBLISHED: 2020, SOURCE: MOLECULAR PHYSICS, VOLUME: 118, ISSUE: 17
AUTHORS: Mondal, T; Varandas, AJC;
PUBLISHED: 2020, SOURCE: MOLECULAR PHYSICS, VOLUME: 118, ISSUE: 17
INDEXED IN: 
Scopus 
WOS
Scopus WOS55
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 WOS56
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
57
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
58
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
59
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
60
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
