Ibon Alkorta: search on Z-Library

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1

Soil Enzyme Activities as Biological Indicators of Soil Health

Alkorta, Itziar, Aizpurua, Ana, Riga, Patrick, Albizu, Isabel, Amézaga, Ibone, Garbisu, Carlos

Journal:

Reviews on Environmental Health

Year:

2003

Language:

english

File:

PDF, 1.03 MB

english, 2003

2

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

3

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

4

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

5

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

6

An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Study of the Halogen Bond with Explicit Analysis of Electron Correlation

Alkorta, Ibon, Silva, Arnaldo F., Popelier, Paul L. A.

Journal:

Year:

2020

File:

PDF, 1.92 MB

2020

7

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

8

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

9

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

10

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

11

Cooperativity between the hydrogen bonding and halogen bonding in F 3 CX ··· NCH(CNH) ··· NCH(CNH) complexes (X=Cl, Br)

Solimannejad, Mohammad, Malekani, Masumeh, Alkorta, Ibon

Journal:

Molecular Physics

Year:

2011

Language:

english

File:

PDF, 480 KB

english, 2011

12

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

13

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

14

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

15

Regium Bonds between Silver(I) Pyrazolates Dinuclear Complexes and Lewis Bases (N2, OH2, NCH, SH2, NH3, PH3, CO and CNH)

Alkorta, Ibon, Trujillo, Cristina, SÃ¡nchez-Sanz, Goar, Elguero, JosÃ©

Journal:

Year:

2020

Language:

english

File:

PDF, 1.98 MB

english, 2020

16

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

17

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

18

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

19

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

20

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

21

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

22

[Advances in Heterocyclic Chemistry] Volume 105 || Atropisomerism and Axial Chirality in Heteroaromatic Compounds

Year:

2012

Language:

english

File:

PDF, 4.20 MB

english, 2012

23

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

24

Adsorption sensitivity of pristine and Al- or Si-doped boron nitride nanoflake to COCl 2 : a DFT study

Moladoust, Roghayeh, Esrafili, Mehdi D., Hosseinian, Akram, Alkorta, Ibon, Vessally, Esmail

Journal:

Molecular Physics

Year:

2018

Language:

english

File:

PDF, 2.08 MB

english, 2018

25

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

26

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

27

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

28

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

29

Molecular polarization maps as a tool for studies of intermolecular interactions and chemical reactivity

Ibon Alkorta, Juan J. Perez, Hugo O. Villar

Journal:

Journal of Molecular Graphics

Year:

1994

Language:

english

File:

PDF, 1.16 MB

english, 1994

30

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

31

The Importance of Strain (Preorganization) in Beryllium Bonds

Alkorta, Ibon, Elguero, JosÃ©, Oliva-Enrich, Josep M., YÃ¡Ã±ez, Manuel, MÃ³, Otilia, Montero-Campillo, M. Merced

Journal:

Year:

2020

File:

PDF, 2.58 MB

2020

32

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

33

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

34

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

35

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

36

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

37

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

38

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

39

Structures, Binding Energies, and Spin–Spin Coupling Constants of Geometric Isomers of Pnicogen Homodimers (PHFX) 2 , X = F, Cl, CN, CH 3 , NC

Del Bene, Janet E., Alkorta, Ibon, Sanchez-Sanz, Goar, Elguero, José

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 777 KB

english, 2012

40

Mutual Influence of Pnicogen Bonds and Beryllium Bonds: Energies and Structures in the Spotlight

Alkorta, Ibon, Elguero, JosÃ©, Del Bene, Janet E., Mo Romero, Otilia, Montero-Campillo, M. Merced, YÃ¡Ã±ez, Manuel

Journal:

Journal of Physical Chemistry A

Year:

2020

File:

PDF, 535 KB

2020

41

Are Anions of Cyclobutane Beryllium Derivatives Stabilized Through Four-Center One-Electron Bonds?

MÃ³, Otilia, Montero-Campillo, M. Merced, YÃ¡Ã±ez, Manuel, Alkorta, Ibon, Elguero, JosÃ©

Journal:

Journal of Physical Chemistry A

Year:

2020

File:

PDF, 652 KB

2020

42

The Paradox of Hydrogen-Bonded Anion–Anion Aggregates in Oxoanions: A Fundamental Electrostatic Problem Explained in Terms of Electrophilic···Nucleophilic Interactions

Mata, Ignasi, Molins, Elies, Alkorta, Ibon, Espinosa, Enrique

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 769 KB

english, 2015

43

Exploring N C Tetrel and O S Chalcogen Bonds in HN(CH)SX:OCS Systems, for X = F, NC, Cl, CN, CCH, and H

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

Journal:

Chemical Physics Letters

Year:

2019

Language:

english

File:

PDF, 678 KB

english, 2019

44

ChemInform Abstract: Aromatic Photosubstitution. Part 4. Photocyanation of Aromatic Compounds: Labeling Experiments

Rene Lazaro, Philippe Bouchet, Raphael Sole, Ibon Alkorta, Jose Elguero

Journal:

Year:

2000

File:

PDF, 25 KB

2000

45

Study of the Structure of 1-Hydroxymethylindazole and 1-Hydroxymethylbenzotriazole by X-Ray Crystallography, Multinuclear NMR in Solution and DFT Calculations.

Ibon Alkorta, Jose Elguero, Nadine Jagerovic, Alain Fruchier, Glenn P. A. Yap

Journal:

Year:

2004

File:

PDF, 54 KB

2004

46

Structural studies of 2-methyl-7-substituted pyrazolo[1,5-a]pyrimidines

Clarissa P. Frizzo, Marcos A.P. Martins, Mara R. B. Marzari, Patrick T. Campos, Rosa M. Claramunt, M. Ángeles García, Dionisia Sanz, Ibon Alkorta, José Elguero

Journal:

Journal of Heterocyclic Chemistry

Year:

2010

Language:

english

File:

PDF, 513 KB

english, 2010

47

Theoretical study of 31P, 31P coupling constants in cyclotriphosphazenes

Alain Fruchier, Virginie Vicente, Ibon Alkorta, José Elguero

Journal:

Magnetic Resonance in Chemistry

Year:

2005

Language:

english

File:

PDF, 94 KB

english, 2005

48

The induced polarization of the water molecule

Ibon Alkorta, Montse Bachs, Juan J. Perez

Journal:

Chemical Physics Letters

Year:

1994

Language:

english

File:

PDF, 365 KB

english, 1994

49

Theoretical estimation of the annular tautomerism of indazoles

Ibon Alkorta, José Elguero

Journal:

Journal of Physical Organic Chemistry

Year:

2005

Language:

english

File:

PDF, 172 KB

english, 2005

50

Substitution effects in phenyl andN-pyrrole derivatives along the periodic table

Krzysztof Zborowski, Ibon Alkorta, José Elguero

Journal:

Structural Chemistry

Year:

2007

Language:

english

File:

PDF, 361 KB

english, 2007

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