Antonio Joaquim Campos Varandas
AuthID: R-000-22Z
41
TITLE: Dynamical calculations of O(P-3) + OH((2)pi) reaction on the CHIPR potential energy surface using the fully coupled time-dependent wave-packet approach in hyperspherical coordinates Full Text
AUTHORS: Ghosh, S; Sharma, R; Adhikari, S; Varandas, AJC;
PUBLISHED: 2021, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 23, ISSUE: 38
AUTHORS: Ghosh, S; Sharma, R; Adhikari, S; Varandas, AJC;
PUBLISHED: 2021, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 23, ISSUE: 38
42
TITLE: SiS Formation in the Interstellar Medium through Si plus SH Gas-phase Reactions
AUTHORS: Mota, VC; Varandas, AJC; Mendoza, E; Wakelam, V; Galvao, BRL;
PUBLISHED: 2021, SOURCE: ASTROPHYSICAL JOURNAL, VOLUME: 920, ISSUE: 1
AUTHORS: Mota, VC; Varandas, AJC; Mendoza, E; Wakelam, V; Galvao, BRL;
PUBLISHED: 2021, SOURCE: ASTROPHYSICAL JOURNAL, VOLUME: 920, ISSUE: 1
43
TITLE: Optimized Structural Data at the Complete Basis Set Limit via Successive Quadratic Minimizations
AUTHORS: Pansini, FNN; Mota, VC; Varandas, AJC;
PUBLISHED: 2021, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 125, ISSUE: 50
AUTHORS: Pansini, FNN; Mota, VC; Varandas, AJC;
PUBLISHED: 2021, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 125, ISSUE: 50
44
TITLE: A further look at the <math><mrow><mi>Li</mi><mo>+</mo><mi>HCl</mi><mo>→</mo><mi>LiCl</mi><mo>+</mo><mi>H</mi></mrow></math> reaction
Full Text
AUTHORS: Xian-Fang Yue; Jianjun Fang; Jing Li; Hai-Ran Feng; Ming-Chun Jiao; Pedro J.S.B Caridade; António J.C Varandas;
PUBLISHED: 2021, SOURCE: Chemical Physics Letters, VOLUME: 780
AUTHORS: Xian-Fang Yue; Jianjun Fang; Jing Li; Hai-Ran Feng; Ming-Chun Jiao; Pedro J.S.B Caridade; António J.C Varandas;
PUBLISHED: 2021, SOURCE: Chemical Physics Letters, VOLUME: 780
45
TITLE: A general code for fitting global potential energy surfaces via CHIPR method: Triatomic molecules Full Text
AUTHORS: Rocha, CMR; Varandas, AJC;
PUBLISHED: 2020, SOURCE: COMPUTER PHYSICS COMMUNICATIONS, VOLUME: 247
AUTHORS: Rocha, CMR; Varandas, AJC;
PUBLISHED: 2020, SOURCE: COMPUTER PHYSICS COMMUNICATIONS, VOLUME: 247
46
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
47
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
48
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
49
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 WOS50
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 WOS