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1

Estimation of enthalpies of formation of organometallic compounds from their molecular structures

Jesús Jover, Ramón Bosque, José A. Martinho Simões, Joaquim Sales

Journal:

Journal of Organometallic Chemistry

Année:

2008

Langue:

english

Fichier:

PDF, 176 KB

english, 2008

2

Organometallic thermochemistry at CQE-IST. An overview

Hermı́nio P. Diogo, Manuel E. Minas da Piedade, José A. Martinho Simões, Clementina Teixeira

Journal:

Journal of Organometallic Chemistry

Année:

2001

Langue:

english

Fichier:

PDF, 181 KB

english, 2001

3

Enthalpies of formation of bis(.eta.5-cyclopentadienyl)diphenyl- and bis(.eta.5-cyclopentadienyl)diferrocenyltitanium

Dias, Alberto R., Salema, Margarida S., Simoes, Jose A. Martinho

Journal:

Organometallics

Année:

1982

Langue:

english

Fichier:

PDF, 368 KB

english, 1982

4

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

Ana L. C. Lagoa, Hermínio P. Diogo, M. Pilar Dias, Manuel E. Minas da Piedade, Luísa M. P. F. Amaral, Manuel A. V. Ribeiro da Silva, José A. Martinho Simões, Rita C. Guedes, Benedito J. Costa Cabral,

Journal:

Chemistry - A European Journal

Année:

2001

Langue:

english

Fichier:

PDF, 233 KB

english, 2001

5

ChemInform Abstract: Substituent Effects on the O—H Bond Dissociation Enthalpies in Phenolic Compounds: Agreements and Controversies

Magda M. Bizarro, Benedito J. Costa Cabral, Rui M. Borges Dos Santos, Jose A. Martinho Simoes

Journal:

Année:

2000

Fichier:

PDF, 26 KB

2000

6

Reaction of para-Hydroxy-Substituted Diphenylmethanes with tert-Butoxy Radical

Catarina F. Correia, Rui M. Borges dos Santos, Sílvia G. Estácio, João P. Telo, Benedito J. Costa Cabral, José A. Martinho Simões

Journal:

Année:

2004

Langue:

english

Fichier:

PDF, 105 KB

english, 2004

7

Time-resolved photoacoustic calorimetry as a tool to determine rate constants of hydrogen-abstraction reactions

Paulo M. Nunes, Catarina F. Correia, Rui M. Borges Dos Santos, José A. Martinho Simões

Journal:

International Journal of Chemical Kinetics

Année:

2006

Langue:

english

Fichier:

PDF, 111 KB

english, 2006

8

Standard enthalpy of formation and enthalpy of vaporization of di-1,1-dimethylethyl peroxide: Re-evaluation of the standard enthalpy of formation of the di-1,1-dimethylethoxy radical

Hermı&amp, #x0301, nio P. Diogo, Manuel E. Minas da Piedade, José A. Martinho Simões, Yatsuhisa Nagano

Journal:

The Journal of Chemical Thermodynamics

Année:

1995

Langue:

english

Fichier:

PDF, 362 KB

english, 1995

9

Photoacoustic calorimetry. An examination of a non-classical thermochemistry tool

Rui M. Borges dos Santos, Ana Lúcia C. Lagoa, José A. Martinho Simões

Journal:

The Journal of Chemical Thermodynamics

Année:

1999

Langue:

english

Fichier:

PDF, 348 KB

english, 1999

10

Density-functional and density-functional reaction field calculations of the molecular properties of phenol

Benedito José Costa Cabral, RenéGil Bakker Fonseca, JoséArtur Martinho Simões

Journal:

Chemical Physics Letters

Année:

1996

Langue:

english

Fichier:

PDF, 535 KB

english, 1996

11

Enthalpies of formation of Ti(η-C5H5)2L2 complexes (L = 3-CH3C6H4, 4-CH3C6H4, 4-CF3C6H4, and 4-CH3OC6H4)

Maria J. Calhorda, Alberto R. Dias, Margarida S. Salema, José A. Martinho Simões

Journal:

Journal of Organometallic Chemistry

Année:

1983

Langue:

english

Fichier:

PDF, 392 KB

english, 1983

12

Estimation of stepwise M-L bond dissociation enthalpies in M(η-C5H5)2L2 complexes

Maria J. Calhorda, Alberto R. Dias, Adelino M. Galvão, José A. Martinho Simões

Journal:

Journal of Organometallic Chemistry

Année:

1986

Langue:

english

Fichier:

PDF, 565 KB

english, 1986

13

Estimation of standard enthalpies of formation of crystalline inorganic and organometallic complexes

Alberto R. Dias, José A. Martinho Simões, Clementina Teixeira, Claudio Airoldi, Aécio P. Chagas

Journal:

Journal of Organometallic Chemistry

Année:

1987

Langue:

english

Fichier:

PDF, 760 KB

english, 1987

14

Estimation of standard enthalpies of formation of inorganic and organometallic compounds. II

Alberto R. Dias, José A. Martinho Simõs, Clementina Teixeira, Claudio Airoldi, Aécio P. Chagas

Journal:

Journal of Organometallic Chemistry

Année:

1989

Langue:

english

Fichier:

PDF, 958 KB

english, 1989

15

Standard enthalpies of formation of gaseous dicyclopentadienyl-molybdenum and -tungsten dihyrides

Alberto R. Dias, Hermínio P. Diogo, Manuel E. Minas da Piedade, José A. Martinho Simões, Alexander S. Carson, Essam H. Jamea

Journal:

Journal of Organometallic Chemistry

Année:

1990

Langue:

english

Fichier:

PDF, 492 KB

english, 1990

16

Photomicrocalorimetry: Photosubstitution of carbonyl by phosphites in [Mn(η5-C5H4CH3)(CO)3]

Palmira B. Dias, Clementina Teixeira, Alberto R. Dias, José de Alencar Simoni, José A. Martinho Simões

Journal:

Journal of Organometallic Chemistry

Année:

1994

Langue:

english

Fichier:

PDF, 878 KB

english, 1994

17

The enthalpy of sublimation of diphenylacetylene from Knudsen effusion studies

Hermínio P. Diogo, Manuel E. Minas da Piedade, Anabela C. Fernandes, José A. Martinho Simões, Manuel A.V. Ribeiro da Silva, Manuel J.S. Monte

Journal:

Thermochimica Acta

Année:

1993

Langue:

english

Fichier:

PDF, 463 KB

english, 1993

18

The enthalpy of formation of the pentane-2,4-dionate radical: A complete basis set approach

P. Cabral do Couto, Benedito J. Costa Cabral, José A. Martinho Simões

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 190 KB

english, 2006

19

S–H bond dissociation enthalpies: The importance of a complete basis set approach

P. Cabral do Couto, Benedito J. Costa Cabral, José A. Martinho Simões

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 106 KB

english, 2006

20

Substituent effects on water-assisted proton transfer in [p-XC6H4OH–(H2O)1–3]+ clusters

Hugo F.M.C. Martiniano, Benedito J. Costa Cabral, José A. Martinho Simões

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 354 KB

english, 2007

21

Additivity methods for prediction of thermochemical properties. The Laidler method revisited. 2. Hydrocarbons including substituted cyclic compounds

Rui C. Santos, João P. Leal, José A. Martinho Simões

Journal:

The Journal of Chemical Thermodynamics

Année:

2009

Langue:

english

Fichier:

PDF, 715 KB

english, 2009

22

Gas-phase energetics of organic free radicals using time-resolved photoacoustic calorimetry

Catarina F. Correia, Paulo M. Nunes, Rui M. Borges dos Santos, José A. Martinho Simões

Journal:

Thermochimica Acta

Année:

2004

Langue:

english

Fichier:

PDF, 137 KB

english, 2004

23

Carbon–hydrogen bond dissociation enthalpies in ethers: a theoretical study

Filipe Agapito, Benedito J. Costa Cabral, José A. Martinho Simões

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2005

Langue:

english

Fichier:

PDF, 213 KB

english, 2005

24

Oxygen–oxygen bond dissociation enthalpies of di-tert-butyl peroxide and di-trifluoromethyl peroxide

Filipe Agapito, Benedito J. Costa Cabral, José A. Martinho Simões

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2005

Langue:

english

Fichier:

PDF, 176 KB

english, 2005

25

A cost-effective basis-set extrapolation scheme: Application to the energetics of homolytic bond dissociation

Filipe Agapito, Benedito J. Costa Cabral, José A. Martinho Simões

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2007

Langue:

english

Fichier:

PDF, 289 KB

english, 2007

26

The enthalpies of formation of bis-(benzene)molybdenum and of bis-(toluene)tungsten

Joseph A. Connor, Nabila I. El-Saied, Jose A. Martinho-Simoes, Henry A. Skinner

Journal:

Journal of Organometallic Chemistry

Année:

1981

Langue:

english

Fichier:

PDF, 368 KB

english, 1981

27

Enthalpies of formation of Ti(η-C5H5)2(OR)2 complexes (R  C6H5, 2-CH3C6H4, 3-CH3CH6H4 4-CH3C6H4, and 2-ClC6H4)

Alberto R. Dias, Margarida S. Salema, José A. Martinho Simões

Journal:

Journal of Organometallic Chemistry

Année:

1981

Langue:

english

Fichier:

PDF, 673 KB

english, 1981

28

The thermochemistry of carbonyl complexes of Cr, Mo and W with pyridine and acetonitrile

Festus A. Adedeji, Joseph A. Connor, Christopher P. Demain, Jose A. Martinho-Simoes, Henry A. Skinner, Mohamed T. Zafarani Moattar

Journal:

Journal of Organometallic Chemistry

Année:

1978

Langue:

english

Fichier:

PDF, 785 KB

english, 1978

29

Thermochemistry of M(η5-C5H5)2Ln complexes (M = Ti, Mo, W)

Alberto R. Dias, José A. Martinho Simões

Journal:

Année:

1988

Langue:

english

Fichier:

PDF, 1.29 MB

english, 1988

30

The enthalpy of formation of methyl fluoride

Joel F. Liebman, Jose A. Martinho SimÕes, Suzanne W. Slayden

Journal:

Structural Chemistry

Année:

1995

Langue:

english

Fichier:

PDF, 331 KB

english, 1995

31

Energetics of the oxidative addition of I2to [Ir(Μ-L)(CO)2]2(L=StBu, 3,5-Me2pz,7-aza) complexes. X-ray structures of Ir(Μ-StBu)(I)(CO)2]2and [Ir(Μ-3,5-Me2pz)(I)(CO)2]2

Miguel A. Ciriano, Alberto R. Dias, Paulo M. Nunes, Luis A. Oro, M. Fátima Minas da Piedade, Manuel E. Minas da Piedade, Palmira Ferreira da Silva, José A. Martinho Simões, Jesús J. Pérez-Torrente, Lu

Journal:

Structural Chemistry

Année:

1996

Langue:

english

Fichier:

PDF, 1.20 MB

english, 1996

32

The α-C–H BDE in tetralin

Rui M. Borges dos Santos, Paulo M. Nunes, José A. Martinho Simões

Journal:

Journal of Thermal Analysis and Calorimetry

Année:

2010

Langue:

english

Fichier:

PDF, 210 KB

english, 2010

33

Stepwise TiCl, TiCH3, and TiC6H5 bond dissociation enthalpies in bis(pentamethylcyclopentadienyl)titanium complexes

Alberto R. Dias, Margarida S. Salema, José A. Martinho Simões, Johannes W. Pattiasina, Jan H. Teuben

Journal:

Journal of Organometallic Chemistry

Année:

1988

Langue:

english

Fichier:

PDF, 206 KB

english, 1988

34

Determination of Gas-Phase Acidities of Dimethylphenols: Combined Experimental and Theoretical Study

Paulo J. Amorim Madeira, Paulo Jorge Costa, Maria Tereza Fernandez, José A. Martinho Simões, João Paulo Leal

Journal:

Journal of the American Society for Mass Spectrometry

Année:

2008

Langue:

english

Fichier:

PDF, 861 KB

english, 2008

35

The thermochemistry of carbonyl complexes of Cr, Mo, Wand Co with arenes, cycloheptatriene, and norbornadiene

D.L.S. Brown, Joseph A. Connor, Christopher P. Demain, May L. Leung, Jose A. Martinho-Simoes, Henry A. Skinner, Mohamed T. Zafarani Moattar

Journal:

Journal of Organometallic Chemistry

Année:

1977

Langue:

english

Fichier:

PDF, 1005 KB

english, 1977

36

Thermochemistry of bis-arene- and arenetricarbonyl-chromium compounds containing hexamethylbenzene, 1,3,5-trimethylbenzene and naphthalene.

Joseph A. Connor, Jose A. Martinho-Simoes, Henry A. Skinner, Mohammad T. Zafarani-Moattar

Journal:

Journal of Organometallic Chemistry

Année:

1979

Langue:

english

Fichier:

PDF, 1.25 MB

english, 1979

37

Bonding and energetics of phosphorus (III) ligands in transition metal complexes

Palmira B. Dias, Manuel E.Minas de Piedade, José A.Martinho Simões

Journal:

Coordination Chemistry Reviews

Année:

1994

Langue:

english

Fichier:

PDF, 4.00 MB

english, 1994

38

Antioxidant Activity of a Catechol Derived from Abietic Acid

Justino, Gonçalo C., Correia, Catarina F., Mira, Lurdes, Borges dos Santos, Rui M., Martinho Simões, José A., Silva, Ana M., Santos, Célia, Gigante, Bárbara

Journal:

Journal of Agricultural and Food Chemistry

Année:

2006

Langue:

english

Fichier:

PDF, 90 KB

english, 2006

39

Energetics of Organic Free Radicals ||

Martinho Simões, José Arthur, Greenberg, Arthur, Liebman, Joel F.

Année:

1996

Langue:

english

Fichier:

PDF, 27.45 MB

english, 1996

40

Energetics of metal-sulfur bonds in the complexes M(.eta.5-C5H5)2(SC2H5)2 (M = Ti, W) and W(.eta.5-C5H5)2(SC6H5)2. Molecular structure of Ti(.eta.5-C5H5)2(SC2H5)2

Calhorda, Maria J., Carrondo, Maria A. A. F. de C. T., Dias, Alberto R., Frazao, Carlos F., Hursthouse, Michael B., Simoes, Jose A. Martinho, Teixeira, Clementina

Journal:

Inorganic Chemistry

Année:

1988

Langue:

english

Fichier:

PDF, 772 KB

english, 1988

41

Solvation Enthalpies of Free Radicals: O−O Bond Strength in Di- tert -butylperoxide

Borges dos Santos, Rui M., Muralha, Vânia S. F., Correia, Catarina F., Simões, José A. Martinho

Journal:

Journal of the American Chemical Society

Année:

2001

Langue:

english

Fichier:

PDF, 57 KB

english, 2001

42

Energetics of Intramolecular Hydrogen Bonding in Di-substituted Benzenes by the ortho−para Method

Estácio, Sílvia G., Cabral do Couto, P., Costa Cabral, Benedito J., Minas da Piedade, Manuel E., Martinho Simões, José A.

Journal:

Journal of Physical Chemistry A

Année:

2004

Langue:

english

Fichier:

PDF, 128 KB

english, 2004

43

The life and career of Manuel Ribeiro da Silva

Martinho Simões, José A., Liebman, Joel F., Monte, Manuel J.S.

Journal:

The Journal of Chemical Thermodynamics

Année:

2014

Langue:

english

Fichier:

PDF, 236 KB

english, 2014

44

Enthalpies of formation of dihydroxybenzenes revisited: Combining experimental and high-level ab initio data

Gonçalves, Elsa M., Agapito, Filipe, Almeida, Tânia S., Martinho Simões, José A.

Journal:

The Journal of Chemical Thermodynamics

Année:

2014

Langue:

english

Fichier:

PDF, 993 KB

english, 2014

45

Energetics of H-atom addition to naphthalene: A thermochemical cycle from tetralin to naphthalene

Santos, Rui C., Agapito, Filipe, Gonçalves, Elsa M., Martinho Simões, José A., Borges dos Santos, Rui M.

Journal:

The Journal of Chemical Thermodynamics

Année:

2013

Langue:

english

Fichier:

PDF, 538 KB

english, 2013

46

Standard enthalpy of formation of triethylaluminum

Leal, Joao Paulo, Simoes, Jose A. Martinho

Journal:

Organometallics

Année:

1993

Langue:

english

Fichier:

PDF, 408 KB

english, 1993

47

Studies on the transferability of transition-metal-carbon and -hydrogen bond enthalpies in bis(cyclopentadienyl) complexes

Calhorda, Maria J., Dias, Alberto R., Minas da Piedade, Manuel E., Salema, Margarida S., Simoes, Jose A. Martinho.

Journal:

Organometallics

Année:

1987

Langue:

english

Fichier:

PDF, 747 KB

english, 1987

48

Energetics of the Allyl Group

Agapito, Filipe, Nunes, Paulo M., Costa Cabral, Benedito J., Borges dos Santos, Rui M., Martinho Simões, José A.

Journal:

Journal of Organic Chemistry

Année:

2007

Langue:

english

Fichier:

PDF, 179 KB

english, 2007

49

Energetics of molybdenum-azobenzene, titanium-azobenzene, titanium-iodide, and titanium-carbonyl bonds in bis(cyclopentadienyl) complexes

Dias, Alberto R., Dias, Palmira B., Diogo, Herminio P., Galvao, Adelino M., Minas da Piedade, Manuel E., Simoes, Jose A. Martinho.

Journal:

Organometallics

Année:

1987

Langue:

english

Fichier:

PDF, 865 KB

english, 1987

50

Energetics of Nonbonded Ortho Interactions in Alkylbenzenes

Agapito, Filipe, Santos, Rui C., Martinho Simões, José A.

Journal:

Journal of Physical Chemistry A

Année:

2013

Langue:

english

Fichier:

PDF, 1.18 MB

english, 2013