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Benedito Jose Costa Cabral
AuthID:
R-000-2QQ
Publications
Confirmed
To Validate
Document Source:
All
Document Type:
All Document Types
Article (105)
Editorial Material (2)
Note (1)
Erratum (1)
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Order:
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Results:
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Confirmed Publications: 109
21
TITLE:
Born-Oppenheimer molecular dynamics of phenol in a water cluster
Full Text
AUTHORS:
Silvia Gomes Estacio
;
Costa J C Cabral
;
PUBLISHED:
2008
,
SOURCE:
CHEMICAL PHYSICS LETTERS,
VOLUME:
456,
ISSUE:
4-6
INDEXED IN:
Scopus
WOS
IN MY:
ORCID
22
TITLE:
C-H bond dissociation enthalpies in norbornane. An experimental and computational study
Full Text
AUTHORS:
Paulo. M Nunes
;
Silvia G Estacio
;
Gustavo T Lopes
;
Benedito Costa C Cabral
;
Rui Borges B dos Santos
;
Jose Martinho M Simoes
;
PUBLISHED:
2008
,
SOURCE:
ORGANIC LETTERS,
VOLUME:
10,
ISSUE:
8
INDEXED IN:
Scopus
WOS
CrossRef
IN MY:
ORCID
23
TITLE:
Electronic properties of liquid ammonia: A sequential molecular dynamics/quantum mechanics approach
Full Text
AUTHORS:
Tania S Almeida
;
Kaline Coutinho
;
Benedito Costa C Cabral
; Sylvio Canuto;
PUBLISHED:
2008
,
SOURCE:
JOURNAL OF CHEMICAL PHYSICS,
VOLUME:
128,
ISSUE:
1
INDEXED IN:
Scopus
WOS
CrossRef
IN MY:
ORCID
24
TITLE:
Electronic properties of liquid water by sequential molecular dynamics/density functional theory
Full Text
AUTHORS:
Claude Millot;
Benedito Costa C Cabral
;
PUBLISHED:
2008
,
SOURCE:
CHEMICAL PHYSICS LETTERS,
VOLUME:
460,
ISSUE:
4-6
INDEXED IN:
Scopus
WOS
CrossRef
IN MY:
ORCID
25
TITLE:
Energetic differences between the five- and six-membered ring hydrocarbons: Strain energies in the parent and radical molecules
Full Text
AUTHORS:
Filipe Agapito
;
Paulo A Nunes
;
Benedito J C Costa Cabral
;
Rui M B Borges dos Santos
;
Jose A M Martinho Simoes
;
PUBLISHED:
2008
,
SOURCE:
JOURNAL OF ORGANIC CHEMISTRY,
VOLUME:
73,
ISSUE:
16
INDEXED IN:
Scopus
WOS
CrossRef
IN MY:
ORCID
26
TITLE:
Energetics of the allyl group (Journal of Organic Chemistry (2007) 72, (8772))
AUTHORS:
Agapito, F
; Nunes, PM;
Costa Cabral, BJ
; Borges Dos Santos, RM; Martinho Simoes, JA;
PUBLISHED:
2008
,
SOURCE:
Journal of Organic Chemistry,
VOLUME:
73,
ISSUE:
6
INDEXED IN:
Scopus
27
TITLE:
Study of doubly charged alkaline earth metal and 3-azidopropionitrile complexes by electrospray ionization mass spectrometry
Full Text
AUTHORS:
Narciso Couto
;
Joao J Ramos
;
Tereza T Fernandez
;
Paula Rodrigues
;
Teresa T Barros
;
Lourdes L Costa
;
Benedito J C Costa Cabral
;
Filomena F Duarte
;
PUBLISHED:
2008
,
SOURCE:
RAPID COMMUNICATIONS IN MASS SPECTROMETRY,
VOLUME:
22,
ISSUE:
4
INDEXED IN:
Scopus
WOS
CrossRef
IN MY:
ORCID
28
TITLE:
The Changing Hydrogen-Bond Network of Water from the Bulk to the Surface of a Cluster: A Born-Oppenheimer Molecular Dynamics Study
Full Text
AUTHORS:
Galamba, N
;
Costa J C Cabral
;
PUBLISHED:
2008
,
SOURCE:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
VOLUME:
130,
ISSUE:
52
INDEXED IN:
Scopus
WOS
CrossRef
IN MY:
ORCID
29
TITLE:
A cost-effective basis-set extrapolation scheme: Application to the energetics of homolytic bond dissociation
Full Text
AUTHORS:
Fillpe Agapito
;
Benedito Costa C Cabral
;
Jos Martinho M Simoes
;
PUBLISHED:
2007
,
SOURCE:
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM,
VOLUME:
811,
ISSUE:
1-3
INDEXED IN:
Scopus
WOS
CrossRef
IN MY:
ORCID
30
TITLE:
Bond-dissociation enthalpies in the gas phase and in organic solvents: Making ends meet
AUTHORS:
Rui M Borges dos Santos
;
Benedito J Costa Cabral
;
Jose A Martinho Simoes
;
PUBLISHED:
2007
,
SOURCE:
19th Annual Meeting of the International-Association-of-Chemical-Thermodynamics
in
PURE AND APPLIED CHEMISTRY,
VOLUME:
79,
ISSUE:
8
INDEXED IN:
Scopus
WOS
CrossRef
IN MY:
ORCID
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