92
TITLE: Modeling Cusps in Adiabatic Potential Energy Surfaces
AUTHORS: Galvão, BRL; Mota, VC; Varandas, AJC;
PUBLISHED: 2015, SOURCE: J. Phys. Chem. A - The Journal of Physical Chemistry A, VOLUME: 119, ISSUE: 8
INDEXED IN: CrossRef
IN MY: ORCID
93
TITLE: Effect of Initial Vibrational-State Excitation on Subfemtosecond Photodynamics of Water
AUTHORS: Jayachander Rao, BJ; Varandas, AJC;
PUBLISHED: 2015, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 119, ISSUE: 50
INDEXED IN: Scopus WOS CrossRef: 3
IN MY: ORCID
94
TITLE: Coupled 3D Time-Dependent Wave-Packet Approach in Hyperspherical Coordinates: The D++H-2 Reaction on the Triple-Sheeted DMBE Potential Energy Surface
AUTHORS: Sandip Ghosh; Tapas Sahoo; Satrajit Adhikari; Rahul Sharma; Antonio J C Varandas;
PUBLISHED: 2015, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 119, ISSUE: 50
INDEXED IN: Scopus WOS CrossRef: 12
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96
TITLE: Theoretical investigation of vibrational relaxation of highly excited O-3 in collisions with HO2
AUTHORS: Lei Zhang; Pingya Y Luo; Ke Guo; Rong Zeng; Pedro J S B Caridade; Antonio J C Varandas;
PUBLISHED: 2014, SOURCE: RSC ADVANCES, VOLUME: 4, ISSUE: 19
INDEXED IN: Scopus WOS CrossRef: 1
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97
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
INDEXED IN: Scopus WOS
IN MY: ORCID
98
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
INDEXED IN: Scopus WOS CrossRef: 3
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99
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
INDEXED IN: Scopus WOS
IN MY: ORCID
100
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
INDEXED IN: WOS CrossRef: 5
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