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Rita Alexandra do Nascimento Cardoso Guedes
AuthID:
R-000-FG0
Publications
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Article (50)
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Confirmed Publications: 50
41
TITLE:
Differential hydration of phenol and phenoxy radical and the energetics of the phenol O-H bond in solution
AUTHORS:
Guedes, RC
;
Coutinho, K
;
Cabral, BJC
; Canuto, S;
PUBLISHED:
2003
,
SOURCE:
JOURNAL OF PHYSICAL CHEMISTRY B,
VOLUME:
107,
ISSUE:
18
INDEXED IN:
Scopus
WOS
CrossRef
IN MY:
ORCID
|
ResearcherID
42
TITLE:
Electronic polarization of liquid water: converged Monte Carlo-quantum mechanics results for the multipole moments
Full Text
AUTHORS:
Coutinho, K
;
Guedes, RC
;
Cabral, BJC
; Canuto, S;
PUBLISHED:
2003
,
SOURCE:
CHEMICAL PHYSICS LETTERS,
VOLUME:
369,
ISSUE:
3-4
INDEXED IN:
Scopus
WOS
CrossRef
IN MY:
ORCID
|
ResearcherID
43
TITLE:
Solvent effects on the energetics of the phenol O-H bond: Differential solvation of phenol and phenoxy radical in benzene and acetonitrile
AUTHORS:
Guedes, RC
;
Coutinho, K
;
Cabral, BJC
; Canuto, S;
Correia, CF
;
dos Santos, RMB
;
Simoes, JAM
;
PUBLISHED:
2003
,
SOURCE:
JOURNAL OF PHYSICAL CHEMISTRY A,
VOLUME:
107,
ISSUE:
43
INDEXED IN:
Scopus
WOS
CrossRef
IN MY:
ORCID
|
ResearcherID
44
TITLE:
The hydration of the OH radical: Microsolvation modeling and statistical mechanics simulation
Full Text
AUTHORS:
do Couto, PC;
Guedes, RC
;
Cabral, BJC
;
Simoes, JAM
;
PUBLISHED:
2003
,
SOURCE:
JOURNAL OF CHEMICAL PHYSICS,
VOLUME:
119,
ISSUE:
14
INDEXED IN:
Scopus
WOS
CrossRef
IN MY:
ORCID
|
ResearcherID
45
TITLE:
Energetics of the C-Cl bond in CH3CH(Cl)COOH. Enthalpy of formation of (S)-(-)-2-chloropropionic acid and of the 1-carboxyethyl radical
AUTHORS:
Lagoa, ALC
;
Diogo, HP
;
da Piedade, MEM
;
Luísa M.P.F: Amaral
;
Guedes, RC
;
Cabral, BJC
; Kulikov, DV; Verevkin, SP;
Siedler, M
; Epple, M;
PUBLISHED:
2002
,
SOURCE:
JOURNAL OF PHYSICAL CHEMISTRY A,
VOLUME:
106,
ISSUE:
42
INDEXED IN:
Scopus
WOS
CrossRef
:
5
IN MY:
ORCID
|
ResearcherID
46
TITLE:
Phenol O-H bond dissociation energy in water clusters
Full Text
AUTHORS:
Do Couto, PC
;
Guedes, RC
;
Cabral, BJC
;
Simoes, JAM
;
PUBLISHED:
2002
,
SOURCE:
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
VOLUME:
86,
ISSUE:
3
INDEXED IN:
Scopus
WOS
CrossRef
IN MY:
ORCID
|
ResearcherID
47
TITLE:
S-H bond dissociation enthalpies in thiophenols: A time-resolved photoacoustic calorimetry and quantum chemistry study
AUTHORS:
dos Santos, RMB
;
Muralha, VSF
;
Correia, CF
;
Guedes, RC
;
Cabral, BJC
;
Simoes, JAM
;
PUBLISHED:
2002
,
SOURCE:
JOURNAL OF PHYSICAL CHEMISTRY A,
VOLUME:
106,
ISSUE:
42
INDEXED IN:
Scopus
WOS
CrossRef
IN MY:
ORCID
|
ResearcherID
48
TITLE:
Energetics of C-Cl, C-Br, and C-I bonds in haloacetic acids: Enthalpies of formation of XCH2COOH (X = Cl, Br, I) compounds and the carboxymethyl radical
Full Text
AUTHORS:
Lagoa, ALC
;
Diogo, HP
;
Dias, MP
;
de Piedade, MEM
;
Luísa M.P.F: Amaral
;
da Silva, MAVR
;
Simoes, JAM
;
Guedes, RC
;
Cabral, BJC
;
Schwarz, K
; Epple, M;
PUBLISHED:
2001
,
SOURCE:
CHEMISTRY-A EUROPEAN JOURNAL,
VOLUME:
7,
ISSUE:
2
INDEXED IN:
Scopus
WOS
CrossRef
:
17
IN MY:
ORCID
|
ResearcherID
49
TITLE:
Hydrogen bonding and the dipole moment of hydrofluorocarbons by density functional theory
Full Text
AUTHORS:
Cabral, BJC
;
Guedes, RC
;
Pai Panandiker, RS
;
de Castro, CAN
;
PUBLISHED:
2001
,
SOURCE:
PHYSICAL CHEMISTRY CHEMICAL PHYSICS,
VOLUME:
3,
ISSUE:
19
INDEXED IN:
Scopus
WOS
CrossRef
IN MY:
ORCID
|
ResearcherID
50
TITLE:
Thermochemical properties and structure of phenol-(H2O)(1-6) and phenoxy-(H2O)(1-4) by density functional theory
AUTHORS:
Guedes, RC
;
Cabral, BJC
;
Simoes, JAM
;
Diogo, HP
;
PUBLISHED:
2000
,
SOURCE:
JOURNAL OF PHYSICAL CHEMISTRY A,
VOLUME:
104,
ISSUE:
25
INDEXED IN:
Scopus
WOS
CrossRef
IN MY:
ORCID
|
ResearcherID
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