Elguero, Jose′: search on Z-Library

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1

Polarizability effects on the aqueous solution basicity of substituted pyridines

Abboud, Jose Luis M., Catalan, Javier, Elguero, Jose, Taft, Robert W.

Journal:

Journal of Organic Chemistry

Year:

1988

Language:

english

File:

PDF, 843 KB

english, 1988

2

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

3

Electrostatic proximity effects in the relative basicities and acidities of pyrazole, imidazole, pyridazine, and pyrimidine

Taft, Robert W., Anvia, Frederick., Taagepera, Mare., Catalan, Javier., Elguero, Jose.

Journal:

Journal of the American Chemical Society

Year:

1986

Language:

english

File:

PDF, 382 KB

english, 1986

4

Microwave-Assisted Synthesis and Dynamic Behaviour of N2,N4,N6-Tris(1H-pyrazolyl)-1,3,5-triazine-2,4,6-triamines

Ángel Díaz-Ortiz, José Elguero, Antonio de la Hoz, Agustín Jiménez, Andrés Moreno, Sergio Moreno, Ana Sánchez-Migallón

Journal:

Molecular Informatics

Year:

2005

Language:

english

File:

PDF, 310 KB

english, 2005

5

Theoretical studies of aza analogues of platonic hydrocarbons.: Part III. Dodecahedrane and its aza derivatives

Ibon Alkorta, José Elguero, Isabel Rozas, Alexandru T. Balaban

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1991

Language:

english

File:

PDF, 762 KB

english, 1991

6

From weak to strong interactions: A comprehensive analysis of the topological and energetic properties of the electron density distribution involving X–H⋯F–Y systems

Espinosa, Enrique, Alkorta, Ibon, Elguero, José, Molins, Elies

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 434 KB

english, 2002

7

The tautomerism of 1,2,3-triazole, 3(5)-methylpyrazole and their cations

Javier Catalán, Marta Sánchez-Cabezudo, José Luis G. De Paz, José Elguero, Robert W. Taft, Frederick Anvia

Journal:

Journal of Computational Chemistry

Year:

1989

Language:

english

File:

PDF, 656 KB

english, 1989

8

A theoretical and NMR experimental study of N1,N3-di(3-aminoacridin-6-yl)-isophthalamide and N2,N6-di(3-aminoacridin-6-yl)-2,6-dicarboxamide

Yohann Benchabane, Gérard Boyer, Stéphane Humbel, Ibon Alkorta, José Elguero

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 425 KB

english, 2009

9

The additive properties of the electron density at the bond critical points in hydrogen-bonded complexes

Ibon Alkorta, Isabel Rozas, José Elguero

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1998

Language:

english

File:

PDF, 106 KB

english, 1998

10

Field effects on dihydrogen bonded systems

Isabel Rozas, Ibon Alkorta, José Elguero

Journal:

Chemical Physics Letters

Year:

1997

Language:

english

File:

PDF, 373 KB

english, 1997

11

Ab Initio Study of the Structural, Energetic, Bonding, and IR Spectroscopic Properties of Complexes with Dihydrogen Bonds

Alkorta, Ibon, Elguero, José, Mó, Otilia, Yáñez, Manuel, Del Bene, Janet E.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 63 KB

english, 2002

12

Proton, carbon-13, and fluorine-19 NMR study of N-arylpyridinium salts: Attempted calculations of the σ1 and σR0 values for N-pyridinium substituents

Claramunt, Rosa Maria, Elguero, José

Journal:

Collection of Czechoslovak Chemical Communications

Year:

1981

Language:

english

File:

PDF, 3.67 MB

english, 1981

13

Study of the reaction of chalcone analogs of dehydroacetic acid and o-aminothiophenol: synthesis and structure of 1,5-benzothiazepines and 1,4-benzothiazines

Om Prakash, Ajay Kumar, Anil Sadana, Richa Prakash, Shiv P. Singh, Rosa M. Claramunt, Dionisia Sanz, Ibon Alkorta, José Elguero

Journal:

Year:

2005

Language:

english

File:

PDF, 372 KB

english, 2005

14

Thermodynamic basicity vs. kinetic basicity of diazoles (imidazoles and pyrazoles)

Chen, Lin Zhi, Flammang, Robert, Maquestiau, Andre, Taft, Robert W., Catalan, Javier, Cabildo, Pilar, Claramunt, Rosa M., Elguero, Jose

Journal:

Journal of Organic Chemistry

Year:

1991

Language:

english

File:

PDF, 521 KB

english, 1991

15

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

16

Tetraimidazophthalocyanines

Carmen Pardo, Manuel Yuste, José Elguero

Journal:

Journal of Porphyrins and Phthalocyanines

Year:

2000

Language:

english

File:

PDF, 75 KB

english, 2000

17

Theoretical studies on aza-analogs of platonic hydrocarbons: Part II. Tetrahedrane and its azaderivatives

Ibon Alkorta, Jose Elguero, Isabel Rozas, Alexandru T. Balaban

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1992

Language:

english

File:

PDF, 859 KB

english, 1992

18

Do nitrogen bases form chlorine-shared and ion-pair halogen bonds?

Janet E. Del Bene, Ibon Alkorta, José Elguero

Journal:

Chemical Physics Letters

Year:

2011

Language:

english

File:

PDF, 341 KB

english, 2011

19

Equilibre acido-base dans les diazoazoles

Par Jaume Vilarrasa, Enrique Meléndez, José Elguero

Journal:

Tetrahedron Letters

Year:

1974

File:

PDF, 133 KB

1974

20

Novel antiobesity agents: Synthesis and pharmacological evaluation of analogues of Rimonabant and of LH21

Alvarado, Mario, Decara, Juan, Luque, María Jesús, Hernandez-Folgado, Laura, Gómez-Cañas, María, Gómez-Ruiz, María, Fernández-Ruiz, Javier, Elguero, José, Jagerovic, Nadine, Serrano, Antonia, Goya, Pi

Journal:

Bioorganic & Medicinal Chemistry

Year:

2013

Language:

english

File:

PDF, 466 KB

english, 2013

21

Synthesis, 1H and 13C NMR Study of Pyrazoles Derived from Chiral Cyclohexanones (3-Methylcyclohexanone, Menthone, Pulegone, Dihydrocarvone and Carvone)

Hafez Hussien Elghandour, Ahmed, Faure, Robert, Frideling, Aline, Galy, Jean-Pierre, Alkorta, Ibon, Elguero, José

Journal:

Year:

2002

Language:

english

File:

PDF, 106 KB

english, 2002

22

Potential Energy Surfaces of HN(CH)SX:CO 2 for X = F, Cl, NC, CN, CCH, and H: N···C Tetrel Bonds and O···S Chalcogen Bonds

Del Bene, Janet E., Alkorta, Ibon, Elguero, José

Journal:

Journal of Physical Chemistry A

Year:

2019

Language:

english

File:

PDF, 1013 KB

english, 2019

23

Combined variable-temperature and variable-field 15N cross-polarization magic angle spinning NMR study of 15N,14N residual dipolar coupling in pyrazole derivatives

Sergio H. Alarcón, José A. Jiménez, Rosa M. Claramunt, Hans-Heinrich Limbach, José Elguero

Journal:

Magnetic Resonance in Chemistry

Year:

2000

Language:

english

File:

PDF, 88 KB

english, 2000

24

3-(2-Pyridyl)-[1,2,3]triazolo[1,5-a]pyridines. An experimental and theoretical (DFT) study of the ring–chain isomerization

Abarca, Belén, Alkorta, Ibon, Ballesteros, Rafael, Blanco, Fernando, Chadlaoui, Mimoun, Elguero, José, Mojarrad, Fatemeh

Journal:

Organic & Biomolecular Chemistry

Year:

2005

Language:

english

File:

PDF, 241 KB

english, 2005

25

Theoretical study of the HXYH dimers (X, Y = O, S, Se). Hydrogen bonding and chalcogen–chalcogen interactions

Sánchez-Sanz, Goar, Alkorta, Ibon, Elguero, José

Journal:

Molecular Physics

Year:

2011

Language:

english

File:

PDF, 251 KB

english, 2011

26

Spontaneous proton transfers induced by beryllium bonds

Mó, Otilia, Yáñez, Manuel, Alkorta, Ibon, Elguero, José

Journal:

Molecular Physics

Year:

2014

Language:

english

File:

PDF, 532 KB

english, 2014

27

A theoretical study of the thermodynamic and hydrogen-bond basicity of TEMPO radical and related nitroxides

Alkorta, Ibon, Elguero, José

Journal:

Structural Chemistry

Year:

2014

Language:

english

File:

PDF, 841 KB

english, 2014

28

Theoretical study of the mutarotation of erythrose and threose: acid catalysis

Azofra, Luis Miguel, Alkorta, Ibon, Elguero, José

Journal:

Carbohydrate Research

Year:

2013

Language:

english

File:

PDF, 767 KB

english, 2013

29

The 1 H NMR spectrum of pyrazole in a nematic phase

Provasi, Patricio, Jimeno, María Luisa, Alkorta, Ibon, Reviriego, Felipe, Elguero, José, Jokisaari, Jukka

Journal:

Magnetic Resonance in Chemistry

Year:

2016

Language:

english

File:

PDF, 761 KB

english, 2016

30

The origin of the splitting of 13C and 15N NMR signals of 3(5)-phenyl-5(3)-methylpyrazolium chloride and bromide in the solid state: Quantum Espresso calculations

Alkorta, Ibon, Claramunt, Rosa M., Elguero, José, Ferraro, Marta B., Facelli, Julio C., Provasi, Patricio F., Reviriego, Felipe

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 1.36 MB

english, 2014

31

ChemInform Abstract: Basicity of N-H- and N-Methyl-1,2,3-triazoles in the Gas Phase, in Solution, and in the Solid State — An Experimental and Theoretical Study.

Jose-Luis M. Abboud, Concepcion Foces-Foces, Rafael Notario, Rostislav E. Trifonov, Anna P. Volovodenko, Vladimir A. Ostrovskii, Ibon Alkorta, Jose Elguero

Journal:

Year:

2002

File:

PDF, 25 KB

2002

32

What determines the sign of the Fermi-contact contribution to the NMR spin–spin coupling constant?

Janet E. Del Bene, José Elguero

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 203 KB

english, 2003

33

Effect of the replacement of a methyl by a trifluoromethyl group on the acid-base properties of pyrazoles

Elguero, Jose, Yranzo, Gloria I., Laynez, Jose, Jimenez, Pilar, Menendez, Margarita, Catalan, Javier, De Paz, Jose Luis G., Anvia, Frederick, Taft, Robert W.

Journal:

Journal of Organic Chemistry

Year:

1991

Language:

english

File:

PDF, 775 KB

english, 1991

34

On the transferability of atomic contributions to the optical rotatory power of hydrogen peroxide, methyl hydroperoxide and dimethyl peroxide

Sánchez, Marina, Alkorta, Ibon, Elguero, José, Ferraro, Marta B., Sauer, Stephan P.A.

Journal:

Molecular Physics

Year:

2014

Language:

english

File:

PDF, 451 KB

english, 2014

35

Synthesis, structure and NMR study of fluorinated isoxazoles derived from hemi-curcuminoids

Nieto, Carla I., Cornago, M. Pilar, Cabildo, M. Pilar, Sanz, Dionisia, Claramunt, Rosa M., Torralba, M. Carmen, Elguero, José

Journal:

Journal of Fluorine Chemistry

Year:

2019

Language:

english

File:

PDF, 3.10 MB

english, 2019

36

Polymorphism vs. Desmotropy: The Cases of 3-Phenyl- and 5-Phenyl- 1H-pyrazoles and 3-Phenyl-1H-indazole

María Angeles García, Concepción López, Rosa M. Claramunt, Ahmed Kenz, Marcel Pierrot, José Elguero

Journal:

Helvetica Chimica Acta

Year:

2002

Language:

english

File:

PDF, 187 KB

english, 2002

37

A comparative ab initio study of SF6⋯X− and CF4⋯X− complexes (X =  H, F, Cl, CN, NC, N3 and NCO)

Mohammad Solimannejad, Ibon Alkorta, José Elguero

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2007

Language:

english

File:

PDF, 287 KB

english, 2007

38

Long-Acting Fentanyl Analogues: Synthesis and Pharmacology of N-(1-Phenylpyrazolyl)-N-(1-phenylalkyl-4-piperidyl)propanamides

Nadine Jagerovic, Carolina Cano, José Elguero, Pilar Goya, Luis F Callado, J Javier Meana, Rocı́o Girón, Raquel Abalo, David Ruiz, Carlos Goicoechea, M.ª Isabel Martı́n

Journal:

Bioorganic & Medicinal Chemistry

Year:

2002

Language:

english

File:

PDF, 211 KB

english, 2002

39

High resolution 13 C nuclear magnetic resonance spectra of solid pyrazoles. Application to annular tautomerism

Faure, Robert, Vincent, Émile-Jean, Rousseau, André, Claramunt, Rose Maria, Elguero, José

Journal:

Canadian Journal of Chemistry

Year:

1988

Language:

english

File:

PDF, 272 KB

english, 1988

40

Weak interactions and cooperativity effects on disiloxane: a look at the building block of silicones

Martín-Fernández, Carlos, Montero-Campillo, M. Merced, Alkorta, Ibon, Elguero, José

Journal:

Molecular Physics

Year:

2018

Language:

english

File:

PDF, 1.14 MB

english, 2018

41

Intramolecular Hydrogen Bonds in o rtho -Substituted Hydroxybenzenes and in 8-Susbtituted 1-Hydroxynaphthalenes: Can a Methyl Group Be an Acceptor of Hydrogen Bonds?

Rozas, Isabel, Alkorta, Ibon, Elguero, Jose

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 183 KB

english, 2001

42

On the Tautomerism of 2-Phenacyl-4-pyrimidinones and Related Compounds

José Elguero, Pilar Goya, Ana Martinez, Isabel Rozas

Journal:

European Journal of Inorganic Chemistry

Year:

1989

Language:

english

File:

PDF, 542 KB

english, 1989

43

The tautomerism of Omeprazole in solution: a 1H and 13C NMR study

Rosa M. Claramunt, Concepción López, Ibon Alkorta, José Elguero, Rong Yang, Steve Schulman

Journal:

Magnetic Resonance in Chemistry

Year:

2004

Language:

english

File:

PDF, 90 KB

english, 2004

44

Theoretical studies of aza analogues of platonic hydrocarbons: Part 1. Cubane and its aza derivatives

Ibon Alkorta, Jose Elguero, Isabel Rozas, Alexandru T. Balaban

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1990

Language:

english

File:

PDF, 492 KB

english, 1990

45

A theoretical study of the tautomerism and ionization of 5-substituted NH-tetrazoles

Rostislav E Trifonov, Ibon Alkorta, Vladimir A Ostrovskii, José Elguero

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2004

Language:

english

File:

PDF, 209 KB

english, 2004

46

Adding Only One Priority Rule Allows Extending CIP Rules to Supramolecular Systems

Alkorta, Ibon, Elguero, José, Cintas, Pedro

Journal:

Year:

2015

Language:

english

File:

PDF, 682 KB

english, 2015

47

Orientation de la réaction d'alkylation des pyrazoles dans des conditions neutres et en catalyse par transfert de phase

Georges Tarrago, Abdelkrim Ramdani, JosÉ Elguero, Modesta Espada

Journal:

Journal of Heterocyclic Chemistry

Year:

1980

File:

PDF, 323 KB

1980

48

Ramsey terms for two-, three-, and four-bond coupling involving 15 N and 17 O in hydrogen-bonded and nonhydrogen-bonded systems: are coupling constants sensitive to RAHBs?

Elguero, José, Alkorta, Ibon, Del Bene, Janet E.

Journal:

Molecular Physics

Year:

2014

Language:

english

File:

PDF, 409 KB

english, 2014

49

Trapping one electron between three beryllium atoms. Very strong one-electron three-center bonds

Alkorta, Ibon, Montero-Campillo, M. Merced, Elguero, Jose, Yañez, Manuel, Mo, Otilia

Journal:

Year:

2018

Language:

english

File:

PDF, 2.20 MB

english, 2018

50

Dissociation Energies and Rotational Barriers About CC Single, Double, and Triple Bonds: A Hybrid HF-DFT Approach (Becke3LYP/6-311++G**)

Ibon Alkorta, José Elguero

Journal:

Structural Chemistry

Year:

1998

Language:

english

File:

PDF, 300 KB

english, 1998

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