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1

Enthalpies of combustion, heat capacities,and enthalpies of vaporisation of 1-phenylimidazole and 1-phenylpyrazole

Manuel A.V Ribeiro da Silva, Maria das Dores M.C Ribeiro da Silva, M.Agostinha R Matos, Pilar Jiménez, M Victoria Roux, M.A Martin-Luengo, José Elguero, Rosa Claramunt, Pilar Cabildo

Journal:

The Journal of Chemical Thermodynamics

Year:

2000

Language:

english

File:

PDF, 109 KB

english, 2000

2

Paradigms and Paradoxes: Thoughts on the Enthalpy of Formation of Guanidine and Its Monosubstituted Derivatives

Maria Victoria Roux, Paul J. Smith, Joel F. Liebman

Journal:

Structural Chemistry

Year:

2005

Language:

english

File:

PDF, 64 KB

english, 2005

3

Experimental and Computational Thermochemical Study of Sulfur-Containing Amino Acids: l -Cysteine, l -Cystine, and l -Cysteine-Derived Radicals. S−S, S−H, and C−S Bond Dissociation Enthalpies

Roux, Maria Victoria, Foces-Foces, Concepción, Notario, Rafael, Ribeiro da Silva, Manuel A. V., Ribeiro da Silva, Maria das Dores M. C., Santos, Ana Filipa L. O. M., Juaristi, Eusebio

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 2.22 MB

english, 2010

4

Substituent Effects on Enthalpies of Formation: Benzene Derivatives

Mó, Otilia, Yáñez, Manuel, Elguero, José, Roux, María Victoria, Jiménez, Pilar, Dávalos, Juan Z., Ribeiro da Silva, Manuel A. V., Ribeiro da Silva, Maria das Dores M. C., Cabildo, Pilar, Claramunt, Ro

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 75 KB

english, 2003

5

Steric Effects and Steric Hindrance to Resonance in tert-Butylbenzoic Acids in the Gas Phase and in Solution

Jiří Kulhánek, Michèle Decouzon, Jean-François Gal, Pierre-Charles Maria, Pavel Fiedler, Pilar Jiménez, Maria-Victoria Roux, Otto Exner

Journal:

European Journal of Organic Chemistry

Year:

1999

Language:

english

File:

PDF, 258 KB

english, 1999

6

ChemInform Abstract: Calorimetric and Computational Study of 1,3,5-Trithiane.

Maria Victoria Roux, Pilar Jimenez, Juan Z. Davalos, Rafael Notario, Eusebio Juaristi

Journal:

Year:

2001

File:

PDF, 24 KB

2001

7

Calorimetric and Computational Study of Sulfur-Containing Six-Membered Rings

Eusebio Juaristi, Rafael Notario, Maria Victoria Roux

Journal:

Year:

2005

File:

PDF, 8 KB

2005

8

ChemInform Abstract: Thermochemistry of Organic Molecules: The Way to Understand Energy—Structure Relationships

Maria Victoria Roux, Concepcion Foces-Foces, Rafael Notario

Journal:

Year:

2010

File:

PDF, 15 KB

2010

9

A Compact and Lipophilic Enantiomer Showing a Bilayer Crystal Structure − Free Energy of Spontaneous Resolution of the Racemic Compound into the Crystalline Enantiomers

María Victoria Roux, Pilar Jiménez, Araceli Vacas, Félix H. Cano, María del Carmen Apreda-Rojas, Francisco Ros

Journal:

European Journal of Organic Chemistry

Year:

2003

Language:

english

File:

PDF, 172 KB

english, 2003

10

Enthalpies of combustion, heat capacities, and enthalpies of vaporization of 1-ethylimidazole and 1-ethylpyrazole

Manuel A.V Ribeiro da Silva, Maria das Dores M.C Ribeiro da Silva, M.Agostinha R Matos, Pilar Jimenez, M.Victoria Roux, José Elguero, Rosa Claramunt, Pilar Cabildo, Ana Sanchez-Migallón

Journal:

The Journal of Chemical Thermodynamics

Year:

1999

Language:

english

File:

PDF, 179 KB

english, 1999

11

Experimental thermochemical study of two 2-alkylbenzimidazole isomers (alkyl=propyl and isopropyl)

Manuel A.V.Ribeiro da Silva, Maria D.M.C.Ribeiro da Silva, Luı́sa M.P.F. Amaral, Pilar Jiménez, Maria Victoria Roux, Juan Z. Dávalos, Manuel Temprado, Pilar Cabildo, Rosa M. Claramunt, José Elguero, O

Journal:

The Journal of Chemical Thermodynamics

Year:

2004

Language:

english

File:

PDF, 205 KB

english, 2004

12

Thermochemical properties of two benzimidazole derivatives: 2-Phenyl- and 2-benzylbenzimidazole

Manuel A.V. Ribeiro da Silva, Maria das Dores M.C. Ribeiro da Silva, Luísa M.P.F. Amaral, José Elguero, Pilar Jiménez, Maria Victoria Roux, Juan Z. Dávalos, Manuel Temprado, Pilar Cabildo, Rosa M. Cla

Journal:

The Journal of Chemical Thermodynamics

Year:

2005

Language:

english

File:

PDF, 188 KB

english, 2005

13

Structural studies of cyclic ureas: 1. Enthalpies of formation of imidazolidin-2-one and N,N′-trimethyleneurea

Maria das Dores M.C. Ribeiro da Silva, Manuel A.V. Ribeiro da Silva, Vera L.S. Freitas, Maria Victoria Roux, Pilar Jiménez, Manuel Temprado, Juan Z. Dávalos, Pilar Cabildo, Rosa M. Claramunt, José Elg

Journal:

The Journal of Chemical Thermodynamics

Year:

2008

Language:

english

File:

PDF, 201 KB

english, 2008

14

Structural studies of cyclic ureas: 2. Enthalpy of formation of parabanic acid

Maria das Dores M.C. Ribeiro da Silva, Manuel A.V. Ribeiro da Silva, Vera L.S. Freitas, Maria Victoria Roux, Pilar Jiménez, Juan Z. Dávalos, Pilar Cabildo, Rosa M. Claramunt, José Elguero

Journal:

The Journal of Chemical Thermodynamics

Year:

2008

Language:

english

File:

PDF, 269 KB

english, 2008

15

Energetic studies of urea derivatives: Standard molar enthalpy of formation of 3,4,4′-trichlorocarbanilide

Maria das Dores M.C. Ribeiro da Silva, Manuel A.V. Ribeiro da Silva, Vera L.S. Freitas, Maria Victoria Roux, Pilar Jiménez, Juan Z. Dávalos, Pilar Cabildo, Rosa M. Claramunt, Elena Pinilla, M. Rosario

Journal:

The Journal of Chemical Thermodynamics

Year:

2010

Language:

english

File:

PDF, 609 KB

english, 2010

16

Thermophysical properties of sulfur heterocycles: Thiane and thiophene derivatives

Manuel Temprado, Maria Victoria Roux, Pilar Jiménez, Ramón Guzmán-Mejía, Eusebio Juaristi

Journal:

Thermochimica Acta

Year:

2006

Language:

english

File:

PDF, 138 KB

english, 2006

17

Strainless reference states for poly- and perfluorocycloalkanes: the ultradiagonal strain energy approach

Maria Victoria Roux, Rafael Notario, Diana N. Zeiger, Joel F. Liebman

Journal:

Journal of Fluorine Chemistry

Year:

2001

Language:

english

File:

PDF, 82 KB

english, 2001

18

The strain energy of perchlorocyclopropane is small: It might even be negative. A density functional theory study of perhalocycloalkanes

Madhavi Mahavadi, Diana N. Zeiger, Dahlia Naqib, Maria Victoria Roux, Rafael Notario, Joel F. Liebman

Journal:

International Journal of Quantum Chemistry

Year:

2003

Language:

english

File:

PDF, 98 KB

english, 2003

19

Preface

Maria Victoria Roux, Pilar Jiménez, Duane R. Kirklin

Journal:

Structural Chemistry

Year:

1996

Language:

english

File:

PDF, 102 KB

english, 1996

20

Enthalpies of formation of methoxybenzoic acids and their dependence on structure

Pilar Jiménez, Maria Victoria Roux, JiŘi Kulhánek, Otto Exner

Journal:

Structural Chemistry

Year:

1996

Language:

english

File:

PDF, 527 KB

english, 1996

21

The Potential Energies of Cohesion of a Crystalline Organic Enantiomer and the Racemate; on the Energy for the Liquid Racemate [1]

Francisco Ros, Pilar Jiménez, María Victoria Roux

Journal:

Monatshefte für Chemie - Chemical Monthly

Year:

2007

Language:

english

File:

PDF, 172 KB

english, 2007

22

Thermophysical properties in medium temperature range of several thio and dithiocarbamates

Manuel Temprado, Maria Victoria Roux, Archana R. Parameswar, Alexei V. Demchenko, James S. Chickos, Joel F. Liebman

Journal:

Journal of Thermal Analysis and Calorimetry

Year:

2008

Language:

english

File:

PDF, 89 KB

english, 2008

23

Some thermophysical properties of several solid aldehydes

M. Temprado, María Victoria Roux, J. S. Chickos

Journal:

Journal of Thermal Analysis and Calorimetry

Year:

2008

Language:

english

File:

PDF, 112 KB

english, 2008

24

Thermal behavior and polymorphism in medium–high temperature range of the sulfur containing amino acidsl-cysteine andl-cystine

Concepción Foces-Foces, María Victoria Roux, Rafael Notario, Marta Segura

Journal:

Journal of Thermal Analysis and Calorimetry

Year:

2011

Language:

english

File:

PDF, 686 KB

english, 2011

25

What is the enthalpy of formation of acrylic acid?

Rafael Notario, Maria Victoria Roux, Daniel A. Bors, Joel F. Liebman

Journal:

Structural Chemistry

Year:

2007

Language:

english

File:

PDF, 149 KB

english, 2007

26

What is the enthalpy of formation of acrylonitrile?

Rafael Notario, Maria Victoria Roux, Joel F. Liebman

Journal:

Structural Chemistry

Year:

2010

Language:

english

File:

PDF, 157 KB

english, 2010

27

Thermochemistry and quantum chemical calculations of two dibenzocycloalkane nitriles

Ştefan Perişanu, Iulia Contineanu, Ana Neacşu, Rafael Notario, Maria Victoria Roux, Joel F. Liebman, Bryan J. Dodson

Journal:

Structural Chemistry

Year:

2011

Language:

english

File:

PDF, 281 KB

english, 2011

28

Vaporization, fusion and sublimation enthalpies of the dicarboxylic acids from C4 to C14 and C16

Maria Victoria Roux, Manuel Temprado, James S. Chickos

Journal:

The Journal of Chemical Thermodynamics

Year:

2005

Language:

english

File:

PDF, 228 KB

english, 2005

29

Experimental and computational thermochemical study of 3-hydroxypropanenitrile

María Victoria Roux, Rafael Notario, Ederley Vélez, Manuel Temprado, Andrés Guerrero, Sergey P. Verevkin, Jairo Quijano, Jair Gaviria

Journal:

The Journal of Chemical Thermodynamics

Year:

2007

Language:

english

File:

PDF, 235 KB

english, 2007

30

Structural studies of cyclic ureas: 3. Enthalpy of formation of barbital

Maria das Dores M.C. Ribeiro da Silva, Manuel A.V. Ribeiro da Silva, Vera L.S. Freitas, Maria Victoria Roux, Pilar Jiménez, Manuel Temprado, Juan Z. Dávalos, Pilar Cabildo, Rosa M. Claramunt, José Elg

Journal:

The Journal of Chemical Thermodynamics

Year:

2009

Language:

english

File:

PDF, 337 KB

english, 2009

31

The Plausible Aromaticity of 1,8-Naphthalimides: The Enthalpy of Formation of N-Methyl-1,8-Naphthalimide

Maria Victoria Roux, Pilar Jiménez, Juan Z. Dávalos, Maria Angeles Martín-Luengo, Vincent M. Rotello, Alejandro O. Cuello, Joel F. Liebman

Journal:

Structural Chemistry

Year:

2000

Language:

english

File:

PDF, 91 KB

english, 2000

32

Solid state structure of NH-pyrazoles not easily amenable to crystal structure determinations: The case of 3(5)-phenyl-5(3)-methylpyrazole and 3,5-diphenyl-4-methylpyrazole

JosÉ Elguero, Nadine Jagerovic, ConcepciÓN Foces-Foces, Félix H. Cano, MarÍA Victoria Roux, Francisco Aguilar-Parrilla, Hans-Heinrich Limbach

Journal:

Journal of Heterocyclic Chemistry

Year:

1995

File:

PDF, 390 KB

1995

33

The enthalpy of formation of methionine revisited

María Victoria Roux, Rafael Notario, Marta Segura, James S. Chickos, Joel F. Liebman

Journal:

Journal of Physical Organic Chemistry

Year:

2012

Language:

english

File:

PDF, 624 KB

english, 2012

34

Enthalpies of Formation of N -Substituted Pyrazoles and Imidazoles

Mó, Otilia, Yáñez, Manuel, Roux, María Victoria, Jiménez, Pilar, Dávalos, Juan Z., Ribeiro da Silva, Manuel A. V., Ribeiro da Silva, Maria das Dores M. C., Matos, M. Agostinha R., Amaral, Luisa M. P.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 103 KB

english, 1999

35

Rediscovering the Wheel. Thermochemical Analysis of Energetics of the Aromatic Diazines

Verevkin, Sergey P., Emel’yanenko, Vladimir N., Notario, Rafael, Roux, María Victoria, Chickos, James S., Liebman, Joel F.

Journal:

The Journal of Physical Chemistry Letters

Year:

2012

Language:

english

File:

PDF, 540 KB

english, 2012

36

The Mobility of Water Molecules through Hydrated Pores

Pérez-Hernández, Natalia, Luong, Trung Quan, Febles, Martín, Marco, Carlos, Limbach, Hans-Heinrich, Havenith, Martina, Pérez, Cirilo, Roux, María Victoria, Pérez, Ricardo, Martín, Julio D.

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 4.64 MB

english, 2012

37

Thermochemistry of Uracils. Experimental and Computational Enthalpies of Formation of 5,6-Dimethyl-, 1,3,5-Trimethyl-, and 1,3,5,6-Tetramethyluracils

Notario, Rafael, Emel'yanenko, Vladimir N., Roux, María Victoria, Ros, Francisco, Verevkin, Sergey P., Chickos, James S., Liebman, Joel F.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 505 KB

english, 2013

38

Experimental and Computational Thermochemical Study of α-Alanine (DL) and β-Alanine

Ribeiro da Silva, Manuel A. V., Ribeiro da Silva, Maria das Dores M. C., Santos, Ana Filipa L. O. M., Roux, Maria Victoria, Foces-Foces, Concepción, Notario, Rafael, Guzmán-Mejía, Ramón, Juaristi,

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 2.27 MB

english, 2010

39

The Elusive Antiaromaticity of Maleimides and Maleic Anhydride: Enthalpies of Formation of N -Methylmaleimide, N -Methylsuccinimide, N -Methylphthalimide, and N -Benzoyl- N -methylbenzamide

Roux, María Victoria, Jiménez, Pilar, Martín-Luengo, Maria Ángeles, Dávalos, Juan Z., Sun, Zhiyuan, Hosmane, Ramachandra S., Liebman, Joel F.

Journal:

Journal of Organic Chemistry

Year:

1997

Language:

english

File:

PDF, 164 KB

english, 1997

40

Thermophysical Study of Several α- and β-Amino Acid Derivatives by Differential Scanning Calorimetry (DSC)

Roux, María Victoria, Notario, Rafael, Segura, Marta, Guzmán-Mejía, Ramón, Juaristi, Eusebio, Chickos, James S.

Journal:

Journal of Chemical & Engineering Data

Year:

2011

Language:

english

File:

PDF, 810 KB

english, 2011

41

Thermophysical Study of 2-Thiobarbituric Acids by Differential Scanning Calorimetry

Roux, María Victoria, Notario, Rafael, Segura, Marta, Chickos, James S.

Journal:

Journal of Chemical & Engineering Data

Year:

2012

Language:

english

File:

PDF, 552 KB

english, 2012

42

Experimental and Computational Thermochemical Study of N -Benzylalanines

Notario, Rafael, Roux, Maria Victoria, Foces-Foces, Concepción, Ribeiro da Silva, Manuel A. V., Ribeiro da Silva, Maria das Dores M. C., Santos, Ana Filipa L. O. M., Guzmán-Mejía, Ramón, Juaristi,

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 2.67 MB

english, 2011

43

Experimental and Computational Thermochemical Study of 2-Thiobarbituric Acid: Structure–Energy Relationship

Roux, Maria Victoria, Notario, Rafael, Zaitsau, Dzmitry H., Emel’yanenko, Vladimir N., Verevkin, Sergey P.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 548 KB

english, 2012

44

Knowledge of a Molecule: An Experimental and Theoretical Study of the Structure and Enthalpy of Formation of Tetrahydro-2 H -1,3-oxazine-2-thione

Roux, Maria Victoria, Temprado, Manuel, Jiménez, Pilar, Notario, Rafael, Parameswar, Archana R., Demchenko, Alexei V., Chickos, James S., Deakyne, Carol A., Liebman, Joel F.

Journal:

Journal of Chemical & Engineering Data

Year:

2011

Language:

english

File:

PDF, 1.10 MB

english, 2011

45

Thermochemical and structural properties of anthraquinones

Juan Z. Dávalos, Pilar Jiménez, María Victoria Roux…

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 399 KB

english, 2013

46

Substituent Effects on the Thermochemistry of Thiophenes. A Theoretical (G3(MP2)//B3LYP and G3) Study

Notario, Rafael, Temprado, Manuel, Roux, María Victoria, Liebman, Joel F.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 422 KB

english, 2012

47

Substituent Effects on Enthalpies of Formation of Nitrogen Heterocycles: 2-Substituted Benzimidazoles and Related Compounds

Infantes, Lourdes, Mó, Otilia, Yáñez, Manuel, Roux, María Victoria, Jiménez, Pilar, Dávalos, Juan Z., Temprado, Manuel, Ribeiro da Silva, Manuel A. V., Ribeiro da Silva, Maria das Dores M. C., Amaral,

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 142 KB

english, 2006

48

Experimental and computational study on the energetics of N-acetyl-l-cysteine

Notario, Rafael, Roux, María Victoria, Santos, Ana Filipa L.O.M., Ribeiro da Silva, Maria D.M.C.

Journal:

The Journal of Chemical Thermodynamics

Year:

2014

Language:

english

File:

PDF, 566 KB

english, 2014

49

The Joining of Measurement and Prediction: The Enthalpy of Formation of 1,4-Cubanedicarboxylic Acid

Roux, Maria Victoria, Martín-Valcarcel, Gloria, Notario, Rafael, Kini, Sandeep, Chickos, James S., Liebman, Joel F.

Journal:

Journal of Chemical & Engineering Data

Year:

2011

Language:

english

File:

PDF, 954 KB

english, 2011

50

Correction to “Enthalpies of Formation of N-Substituted Pyrazoles and Imidazoles”

Mó, Otilia, Yáñez, Manuel, Roux, María Victoria, Jiménez, Pilar, Dávalos, Juan Z., Ribeiro da Silva, Manuel A. V., Ribeiro da Silva, Maria das Dores M. C., Matos, M. Agostinha R., Amaral, Luisa M. P.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 111 KB

english, 2013