91
TITLE: Accurate ab initio potentials at low cost via correlation scaling and extrapolation: Application to CO(A (1)Pi)  Full Text
AUTHORS: Varandas, AJC ;
PUBLISHED: 2007, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 127, ISSUE: 11
INDEXED IN: Scopus WOS CrossRef: 33
IN MY: ORCID
92
TITLE: Accurate ab initio-based molecular potentials: from extrapolation methods to global modelling
AUTHORS: Varandas, AJC ;
PUBLISHED: 2007, SOURCE: 16th Biennial European Conference on Dynamics of Molecular (MOLEC) in PHYSICA SCRIPTA, VOLUME: 76, ISSUE: 3
INDEXED IN: Scopus WOS CrossRef: 14
IN MY: ORCID
93
TITLE: Accurate global ab initio potentials at low-cost by correlation scaling and extrapolation to the one-electron basis set limit  Full Text
AUTHORS: Varandas, AJC ;
PUBLISHED: 2007, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 443, ISSUE: 4-6
INDEXED IN: Scopus WOS CrossRef: 34
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94
TITLE: Accurate quantum wave packet study of the N(D-2)+D-2 reaction  Full Text
AUTHORS: Tian Shu Chu; Yun Bo Duan; Shu Ping Yuan; Antonio J C Varandas ;
PUBLISHED: 2007, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 444, ISSUE: 4-6
INDEXED IN: Scopus WOS CrossRef: 13
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95
TITLE: Direct dynamics simulation of reaction between F-2 and ethylene
AUTHORS: Yan Qi; Ke li Han; Antnio J C Varandas ;
PUBLISHED: 2007, SOURCE: CHINESE JOURNAL OF CHEMICAL PHYSICS, VOLUME: 20, ISSUE: 2
INDEXED IN: Scopus WOS CrossRef: 5
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96
TITLE: Dynamics and kinetics of the H+SO2 reaction: A theoretical study  Full Text
AUTHORS: Ballester, MY; Caridade, PJSB ; Varandas, AJC ;
PUBLISHED: 2007, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 439, ISSUE: 4-6
INDEXED IN: Scopus WOS CrossRef
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97
TITLE: Extrapolating to the one-electron basis-set limit in electronic structure calculations  Full Text
AUTHORS: Varandas, AJC ;
PUBLISHED: 2007, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 126, ISSUE: 24
INDEXED IN: Scopus WOS CrossRef: 105
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98
TITLE: Ground and lowest excited state potential energy curves of CO revisited
AUTHORS: Batista, VMO; Rodrigues, SPJ; Varandas, AJC ;
PUBLISHED: 2007, SOURCE: Asian Journal of Spectroscopy, VOLUME: 11, ISSUE: 3-4
INDEXED IN: Scopus
IN MY: ORCID
99
TITLE: HN2((2)A(')) electronic manifold. I. A global ab initio study of first two states
AUTHORS: Vinicius C Mota; Antonio J C Varandas ;
PUBLISHED: 2007, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 111, ISSUE: 41
INDEXED IN: WOS
100
TITLE: HN2(2A′) electronic manifold. I. A global ab initio study of first two states
AUTHORS: Mota, VC; Varandas, AJC ;
PUBLISHED: 2007, SOURCE: Journal of Physical Chemistry A, VOLUME: 111, ISSUE: 41
INDEXED IN: Scopus CrossRef
IN MY: ORCID
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