Antonio Joaquim Campos Varandas
AuthID: R-000-22Z
111
TITLE: Coupled-Cluster Reaction Barriers of HO2+H2O+O-3: An Application of the Coupled-Cluster//Kohn-Sham Density Functional Theory Model Chemistry Full Text
AUTHORS: Viegas, LP; Varandas, AJC;
PUBLISHED: 2014, SOURCE: JOURNAL OF COMPUTATIONAL CHEMISTRY, VOLUME: 35, ISSUE: 7
AUTHORS: Viegas, LP; Varandas, AJC;
PUBLISHED: 2014, SOURCE: JOURNAL OF COMPUTATIONAL CHEMISTRY, VOLUME: 35, ISSUE: 7
INDEXED IN: 
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ORCID
ORCID112
TITLE: On the ferryl catalyst: Electronic structure and optimized ab initio geometry Full Text
AUTHORS: Miranda, U; Varandas, AJC; Kaplan, IG;
PUBLISHED: 2014, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 595
AUTHORS: Miranda, U; Varandas, AJC; Kaplan, IG;
PUBLISHED: 2014, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 595
113
TITLE: Quasiclassical Trajectory Study of the Atmospheric Reaction N(D-2) plus NO(X (2)Pi) -> O(D-1) + N-2(X (1)Sigma(+)(g))
AUTHORS: Jing Li; Pedro J S B Caridade; Antonio J C Varandas;
PUBLISHED: 2014, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 118, ISSUE: 8
AUTHORS: Jing Li; Pedro J S B Caridade; Antonio J C Varandas;
PUBLISHED: 2014, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 118, ISSUE: 8
INDEXED IN: Scopus WOS
Scopus WOS IN MY: ORCID
ORCID114
TITLE: On carbon dioxide capture: An accurate ab initio study of the Li3N + CO2 insertion reaction Full Text
AUTHORS: Varandas, AJC;
PUBLISHED: 2014, SOURCE: COMPUTATIONAL AND THEORETICAL CHEMISTRY, VOLUME: 1036
AUTHORS: Varandas, AJC;
PUBLISHED: 2014, SOURCE: COMPUTATIONAL AND THEORETICAL CHEMISTRY, VOLUME: 1036
115
TITLE: Electronic Quenching in N(D-2) + N-2 Collisions: A State-Specific Analysis via Surface Hopping Dynamics Full Text
AUTHORS: Galvao, BRL; Braga, JP; Belchior, JC; Varandas, AJC;
PUBLISHED: 2014, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 10, ISSUE: 5
AUTHORS: Galvao, BRL; Braga, JP; Belchior, JC; Varandas, AJC;
PUBLISHED: 2014, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 10, ISSUE: 5
INDEXED IN: WOS
WOS IN MY: ORCID
ORCID116
TITLE: Coupled 3D Time-Dependent Wave-Packet Approach in Hyperspherical Coordinates: Application to the Adiabatic Singlet-State(1(1)A ') D+ + H-2 Reaction
AUTHORS: Tapas Sahoo; Sandip Ghosh; Satrajit Adhikari; Rahul Sharma; Antonio J C Varandas;
PUBLISHED: 2014, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 118, ISSUE: 26
AUTHORS: Tapas Sahoo; Sandip Ghosh; Satrajit Adhikari; Rahul Sharma; Antonio J C Varandas;
PUBLISHED: 2014, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 118, ISSUE: 26
117
TITLE: Single-Sheeted Double Many-Body Expansion Potential Energy Surface for Ground-State ClO2
AUTHORS: Teixeira, OBM; Mota, VC; Garcia de la Vega, JMG; Varandas, AJC;
PUBLISHED: 2014, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 118, ISSUE: 26
AUTHORS: Teixeira, OBM; Mota, VC; Garcia de la Vega, JMG; Varandas, AJC;
PUBLISHED: 2014, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 118, ISSUE: 26
118
TITLE: Is HO3- multiple-minimum and floppy? Covalent to van der Waals isomerization and bond rupture of a peculiar anion Full Text
AUTHORS: Varandas, AJC;
PUBLISHED: 2014, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 16, ISSUE: 32
AUTHORS: Varandas, AJC;
PUBLISHED: 2014, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 16, ISSUE: 32
119
TITLE: Photoinduced coupled twisted intramolecular charge transfer and excited-state proton transfer via intermolecular hydrogen bonding: A DFT/TD-DFT study Full Text
AUTHORS: Wang, DD; Lu, R; Yuan, MH; Chen, JS; Feng, LQ; Fu, AP; Tian, FH; Varandas, AJC; Chu, TS;
PUBLISHED: 2014, SOURCE: Chemical Physics Letters in CHEMICAL PHYSICS LETTERS, VOLUME: 610
AUTHORS: Wang, DD; Lu, R; Yuan, MH; Chen, JS; Feng, LQ; Fu, AP; Tian, FH; Varandas, AJC; Chu, TS;
PUBLISHED: 2014, SOURCE: Chemical Physics Letters in CHEMICAL PHYSICS LETTERS, VOLUME: 610
120
TITLE: Orbitals of the dipositronium Full Text
AUTHORS: Varandas, AJC; Brajczewska, M; da Providencia, J; da Providencia, JP;
PUBLISHED: 2014, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 610
AUTHORS: Varandas, AJC; Brajczewska, M; da Providencia, J; da Providencia, JP;
PUBLISHED: 2014, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 610
