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Filipe Miguel Peres Agapito
AuthID:
R-000-577
Publications
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Article (11)
Article in Press (1)
Year Start - End:
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Confirmed Publications: 12
1
TITLE:
Energetics and Structure of Simvastatin
Full Text
AUTHORS:
Ricardo G Simoes
;
Carlos E S Bernardes
;
Herminio P Diogo
;
Filipe Agapito
;
Manuel E M Minas da Piedade
;
PUBLISHED:
2013
,
SOURCE:
MOLECULAR PHARMACEUTICS,
VOLUME:
10,
ISSUE:
7
INDEXED IN:
Scopus
WOS
IN MY:
ORCID
|
ResearcherID
2
TITLE:
Energetics of H-atom addition to naphthalene: A thermochemical cycle from tetralin to naphthalene
Full Text
AUTHORS:
Rui C Santos;
Filipe Agapito
;
Elsa M Goncalves
;
Jose A M Martinho Simoes
;
Rui M B Borges dos Santos
;
PUBLISHED:
2013
,
SOURCE:
JOURNAL OF CHEMICAL THERMODYNAMICS,
VOLUME:
61
INDEXED IN:
Scopus
WOS
CrossRef
IN MY:
ORCID
|
ResearcherID
3
TITLE:
Energetics of Nonbonded Ortho Interactions in Alkylbenzenes
AUTHORS:
Filipe Agapito
;
Rui C Santos
;
Jose A M Martinho Simoes
;
PUBLISHED:
2013
,
SOURCE:
JOURNAL OF PHYSICAL CHEMISTRY A,
VOLUME:
117,
ISSUE:
13
INDEXED IN:
Scopus
WOS
CrossRef
IN MY:
ORCID
|
ResearcherID
4
TITLE:
Enthalpies of formation of dihydroxybenzenes revisited: Combining experimental and high-level ab initio data
AUTHORS:
Goncalves, EM;
Agapito, F
; Almeida, TS; Martinho Simoes, JA;
PUBLISHED:
2013
,
SOURCE:
Journal of Chemical Thermodynamics
INDEXED IN:
Scopus
5
TITLE:
Thermodynamically sick molecules: searching for defective experimental enthalpies of formation values using empirical and quantum chemistry methods
Full Text
AUTHORS:
Rui C Santos;
Tania S Almeida
;
Filipe Agapito
;
Rui M B Borges dos Santos
;
Jose A M Martinho Simoes
;
PUBLISHED:
2013
,
SOURCE:
STRUCTURAL CHEMISTRY,
VOLUME:
24,
ISSUE:
6
INDEXED IN:
Scopus
WOS
CrossRef
IN MY:
ORCID
|
ResearcherID
6
TITLE:
Energetics of tert-Butoxyl Addition Reaction to Norbornadiene: A Method for Estimating the pi-Bond Strength of a Carbon-Carbon Double Bond
AUTHORS:
Paulo M Nunes
;
Silvia G Estacio
; Gustavo T Lopes;
Filipe Agapito
;
Rui C Santos
;
Benedito J C Costa Cabral
;
Rui M B Borges dos Santos
;
Jose A M Martinho Simoes
;
PUBLISHED:
2009
,
SOURCE:
JOURNAL OF PHYSICAL CHEMISTRY A,
VOLUME:
113,
ISSUE:
23
INDEXED IN:
Scopus
WOS
CrossRef
IN MY:
ORCID
|
ResearcherID
7
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
|
ResearcherID
8
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
|
ResearcherID
9
TITLE:
Energetics of the allyl group
Full Text
AUTHORS:
Filipe Agapito
;
Paulo M Nunes
;
Benedito J C Costa Cabral
;
Rui M B Borges dos Santos
;
Jose A M Martinho Simoes
;
PUBLISHED:
2007
,
SOURCE:
JOURNAL OF ORGANIC CHEMISTRY,
VOLUME:
72,
ISSUE:
23
INDEXED IN:
Scopus
WOS
CrossRef
IN MY:
ORCID
|
ResearcherID
10
TITLE:
Enthalpy of formation of the cyclopentadienyl radical: Photoacoustic calorimetry and ab initio studies
AUTHORS:
Nunes, PM
;
Agapito, F
;
Cabral, BJC
;
dos Santos, RMB
;
Simoes, JAM
;
PUBLISHED:
2006
,
SOURCE:
JOURNAL OF PHYSICAL CHEMISTRY A,
VOLUME:
110,
ISSUE:
15
INDEXED IN:
Scopus
WOS
CrossRef
IN MY:
ORCID
|
ResearcherID
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