Cabaleiro-Lago, Enrique: search on Z-Library

The world's largest scientific articles store. 70,000,000+ articles for free.

1

A DFT Study of the Boulton−Katritzky Rearrangement of (5 R )-4-Nitrosobenz[ c ]isoxazole and Its Anion: Pseudopericyclic Reactions with Aromatic Transition States

Peña-Gallego, Angeles, Rodríguez-Otero, Jesús, Cabaleiro-Lago, Enrique M.

Journal:

Journal of Organic Chemistry

Year:

2004

Language:

english

File:

PDF, 354 KB

english, 2004

2

Density Functional Theory Study of Ruthenium (II)-Catalyzed [2+2+2] Cycloaddition of 1,6-Diynes with Tricarbonyl Compounds

Rodríguez-Otero, Jesús, Montero-Campillo, M. Merced, Cabaleiro-Lago, Enrique M.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 398 KB

english, 2008

3

The study of A(CH3OH)1–6 (A = Li+, Na+) in the gas phase based on ab initio calculations, analysis of the solvation process

Alba Garcı́a-Muruais, Enrique M. Cabaleiro-Lago, Jose M. Hermida-Ramón, Miguel A. Rı́os

Journal:

Chemical Physics

Year:

2000

Language:

english

File:

PDF, 286 KB

english, 2000

4

Evaluation of Magnetic Properties as a Criterion for the Elucidation of the Pseudopericyclic Character of 1,5-Electrocyclizations in Nitrile Ylides

Cabaleiro-Lago, Enrique M., Rodríguez-Otero, Jesús, Hermida-Ramón, Jose M.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 98 KB

english, 2003

5

A Density Functional Theory Study on the Electrocyclization of 1,2,4,6-Heptatetraene Analogues: Converting a Pericyclic to a Pseudopericyclic Reaction

Enrique M. Cabaleiro-Lago, Jesús Rodríguez-Otero, Rosa M. García-López, Angeles Peña-Gallego, Jose M. Hermida-Ramón

Journal:

Chemistry - A European Journal

Year:

2005

Language:

english

File:

PDF, 340 KB

english, 2005

6

A DFT study of the [4+2] cycloadditions of conjugated ketenes (vinylketene, imidoylketene and formylketene) with formaldimine. The pericyclic or pseudopericyclic character from magnetic properties

Angeles Peña-Gallego, Jesús Rodríguez-Otero, Enrique M. Cabaleiro-Lago

Journal:

Year:

2007

Language:

english

File:

PDF, 766 KB

english, 2007

7

Computational study of the dissociation of oxalic acid in water clusters

Jose M Hermida-Ramón, Enrique M Cabaleiro-Lago, Jesús Rodrı́guez-Otero

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 381 KB

english, 2004

8

A computational study of the protonation of simple amines in water clusters

Sánchez-Lozano, Marta, Cabaleiro-Lago, Enrique M., Hermida-Ramón, Jose M., Estévez, Carlos M.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 3.15 MB

english, 2013

9

Comment on “A Theoretical Investigation of the Interactions between Water Molecules and Ionic Liquids”

Rodríguez-Otero, Jesús, Cabaleiro-Lago, Enrique M., Peña-Gallego, Ángeles

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 182 KB

english, 2008

10

Assessment of electronic transitions involving intermolecular charge transfer in complexes formed by fullerenes and donor–acceptor nanohoops

González-Veloso, Iván, Rodríguez-Otero, Jesús, Cabaleiro-Lago, Enrique M.

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 4.58 MB

english, 2018

11

Ring-annelated corannulenes as fullerene receptors. A DFT-D study

Josa, Daniela, Azevedo dos Santos, Lucas, González-Veloso, Iván, Rodríguez-Otero, Jesús, Cabaleiro-Lago, Enrique M., de Castro Ramalho, Teodorico

Journal:

Year:

2014

Language:

english

File:

PDF, 542 KB

english, 2014

12

σ-σ, σ-π, and π-π Stacking Interactions between Six-Membered Cyclic Systems. Dispersion Dominates and Electrostatics Commands

Cabaleiro-Lago, Enrique M., Rodríguez-Otero, Jesús

Journal:

ChemistrySelect

Year:

2017

Language:

english

File:

PDF, 7.66 MB

english, 2017

13

Criteria for the Elucidation of the Pseudopericyclic Character of the Cyclization of (Z)-1,2,4,6-Heptatetraene and Its Heterosubstituted Analogues: Magnetic Properties and Natural Bond Orbital Analysis

Jesús Rodríguez-Otero, Enrique M. Cabaleiro-Lago

Journal:

Chemistry - A European Journal

Year:

2003

Language:

english

File:

PDF, 163 KB

english, 2003

14

An ab initio study of the potential energy surface of methylamine dimer

Enrique M Cabaleiro-Lago, Jesús Rodrı́guez-Otero

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2002

Language:

english

File:

PDF, 131 KB

english, 2002

15

Ab initio study of M(CH3CN)n clusters (M=Li+, Na+, Mg2+) in the gas phase

Enrique M Cabaleiro-Lago, Miguel A Rı́os

Journal:

Chemical Physics

Year:

2000

Language:

english

File:

PDF, 228 KB

english, 2000

16

A Potential Function for Intermolecular Interaction in the Acetonitrile Dimer Constructed from ab Initio Data

Cabaleiro-Lago, Enrique M., Ríos, Miguel A.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 301 KB

english, 1997

17

Effects of microhydration on the characteristics of cation–phenol complexes

Alba Campo-Cacharrón, Enrique M. Cabaleiro-Lago…

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2012

Language:

english

File:

PDF, 1.26 MB

english, 2012

18

Computational Study of the Interaction in (CH 3 ) 2 X Dimer and Trimer (X = O, S)

Cabaleiro-Lago, Enrique M., Hermida-Ramón, Jose M., Rodríguez-Otero, Jesús

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 135 KB

english, 2004

19

Ab Initio Study of Interactions in Hydrazine Clusters of One To Four Molecules: Cooperativity in the Interaction

Cabaleiro-Lago, Enrique M., Ríos, Miguel A.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 134 KB

english, 1999

20

A theoretical study of ternary indole–cation–anion complexes

Carrazana-García, Jorge A., Cabaleiro-Lago, Enrique M., Campo-Cacharrón, Alba, Rodríguez-Otero, Jesús

Journal:

Organic & Biomolecular Chemistry

Year:

2014

Language:

english

File:

PDF, 1.15 MB

english, 2014

21

Potential functions for describing intermolecular interactions in cyanoacetylene clusters

Cabaleiro-Lago, Enrique M., Rı́os, Miguel A.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 380 KB

english, 1998

22

Water interaction with ion pairs from ionic liquids. Computational study and performance assessment of several common functionals

Fong-Padrón, Ceila, Cabaleiro-Lago, Enrique M., Rodríguez-Otero, Jesús

Journal:

Chemical Physics Letters

Year:

2014

Language:

english

File:

PDF, 817 KB

english, 2014

23

An ab Initio Study of M + (CH 3 OH) n Clusters (M = K, Rb, Cs). Competition between Interior and Surface Structures

Cabaleiro-Lago, Enrique M., Rodríguez-Otero, Jesús

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 111 KB

english, 2002

24

A DFT Study of the Pericyclic/Pseudopericyclic Character of Cycloaddition Reactions of Ethylene and Formaldehyde to Buta-1,3-dien-1-one and Derivatives

Cabaleiro-Lago, Enrique M., Rodríguez-Otero, Jesús, González-López, Iván, Peña-Gallego, Angeles, Hermida-Ramón, Jose M.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 571 KB

english, 2005

25

Are Electrocyclization Reactions of (3 Z )-1,3,5-Hexatrienone and Nitrogen Derivatives Pseudopericyclic? A DFT Study

Cabaleiro-Lago, Enrique M., Rodríguez-Otero, Jesús, Varela-Varela, Santiago M., Peña-Gallego, Angeles, Hermida-Ramón, Jose M.

Journal:

Journal of Organic Chemistry

Year:

2005

Language:

english

File:

PDF, 444 KB

english, 2005

26

Theoretical study of complexes between fullerenes and concave receptors with interest in photovoltaics

Cabaleiro-Lago, Enrique M., Rodriguez-Otero, Jesus, Carrazana-García, Jorge A.

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 2.82 MB

english, 2017

27

A computational study of the electrocyclization of o-divinylbenzene and derivatives

Enrique M. Cabaleiro-Lago, Jesús Rodríguez-Otero, Angeles Peña-Gallego

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2007

Language:

english

File:

PDF, 1.58 MB

english, 2007

28

Theoretical characterization of structures and energies of benzene–(H[sub 2]S)[sub n] and (H[sub 2]S)[sub n] (n=1–4) clusters

Hermida-Ramón, Jose M., Cabaleiro-Lago, Enrique M., Rodríguez-Otero, Jesús

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 333 KB

english, 2005

29

NCI analysis of the interaction cation⋯π in complexes with molecular bowls derived from fullerene

González-Veloso, Iván, Carrazana-García, Jorge A., Josa, Daniela, Rodríguez-Otero, Jesús, Cabaleiro-Lago, Enrique M.

Journal:

Computational and Theoretical Chemistry

Year:

2015

Language:

english

File:

PDF, 2.61 MB

english, 2015

30

An Alternative Mechanism to Explain the Ruthenium(II)-Catalyzed [2 + 2 + 2] Cycloaddition of 1,6-Diynes and Tricarbonyl Compounds

Montero-Campillo, M. Merced, Rodríguez-Otero, Jesús, Cabaleiro-Lago, Enrique M.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 1.98 MB

english, 2009

31

Computational Study on the Characteristics of the Interaction in Naphthalene···(H 2 X) n =1,2 (X = O, S) Clusters

Cabaleiro-Lago, Enrique M., Rodríguez-Otero, Jesús, Peña-Gallego, Ángeles

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 931 KB

english, 2008

32

Tailoring buckybowls for fullerene recognition. A dispersion-corrected DFT study

Josa, Daniela, González-Veloso, Iván, Rodríguez-Otero, Jesús, Cabaleiro-Lago, Enrique M.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.34 MB

english, 2015

33

Study of the interaction in clusters formed by phenol and CH3X (X=CN,F,Cl) molecules

Cabaleiro-Lago, Enrique M., Peña-Gallego, Ángeles, Rodríguez-Otero, Jesús

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 634 KB

english, 2008

34

Study of the interaction between aniline and CH3CN, CH3Cl and CH3F

Enrique M. Cabaleiro-Lago, Jesús Rodríguez-Otero, Ángeles Peña-Gallego

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2011

Language:

english

File:

PDF, 566 KB

english, 2011

35

Dissecting the concave-convex π-π interaction in corannulene and sumanene dimers: SAPT(DFT) analysis and performance of DFT dispersion-corrected methods

Cabaleiro-Lago, Enrique M., Fernández, Berta, Rodríguez-Otero, Jesús

Journal:

Journal of Computational Chemistry

Year:

2017

Language:

english

File:

PDF, 1.19 MB

english, 2017

36

Electrocyclization of (Z)-1,2,4,6-Heptatetraene and its Heterosubstituted Analogues: Pericyclic or Pseudopericyclic?

Jesús Rodríguez -Otero, Enrique M. Cabaleiro-Lago

Journal:

Angewandte Chemie International Edition

Year:

2002

Language:

english

File:

PDF, 156 KB

english, 2002

37

Effect of microhydration on the guanidinium⋯benzene interaction

Cabaleiro-Lago, Enrique M., Rodríguez-Otero, Jesús, Peña-Gallego, Ángeles

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.37 MB

english, 2011

38

Ab Initio and DFT Study of the Reaction Mechanism of Diformylketene with Formamide

Montero-Campillo, M. Merced, Rodríguez-Otero, Jesús, Cabaleiro-Lago, Enrique M.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 155 KB

english, 2004

39

DFT Study of the Interaction between Alkaline Cations and Molecular Bowls Derived from Fullerene

Carrazana-García, Jorge A., Rodríguez-Otero, Jesús, Cabaleiro-Lago, Enrique M.

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 2.02 MB

english, 2011

40

Ab initio study of interactions in methylamine clusters. The significance of cooperative effects

Cabaleiro-Lago, Enrique M., Rı́os, Miguel A.

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 323 KB

english, 2000

41

The relative position of Ï-Ï interacting rings notably changes the nature of the substituent effect

Cabaleiro-Lago, Enrique M., Rodriguez-Otero, Jesus, Vazquez, Saulo

Journal:

Physical Chemistry Chemical Physics

Year:

2020

File:

PDF, 3.24 MB

2020

42

Theoretical study of the walk rearrangement in perfluorotetramethyl (Dewar thiophene) exo-S-oxide

Jesús Rodríguez-Otero, Enrique M. Cabaleiro-Lago, Ángeles Peña-Gallego

Journal:

Year:

2007

Language:

english

File:

PDF, 1.32 MB

english, 2007

43

Ab Initioand DFT Study of the Influence of the Allene Group on the Diels–Alder Reaction

M. Luisa Ferreiro, Jesús Rodríguez-Otero, Enrique M. Cabaleiro-Lago

Journal:

Structural Chemistry

Year:

2004

Language:

english

File:

PDF, 135 KB

english, 2004

44

Effect of stepwise microhydration on the guanidinium···π interaction

Rodríguez-Sanz, Ana A., Cabaleiro-Lago, Enrique M., Rodríguez-Otero, Jesús

Journal:

Journal of Molecular Modeling

Year:

2014

Language:

english

File:

PDF, 1.07 MB

english, 2014

45

Intermolecular potential for acetonitrile based on ab initio calculations

CABALEIRO-LAGO, ENRIQUE M., RÍOS, MIGUEL A.

Journal:

Molecular Physics

Year:

1999

Language:

english

File:

PDF, 1.06 MB

english, 1999

46

Fullerene recognition with molecular tweezers made up of efficient buckybowls: a dispersion-corrected DFT study

Josa, Daniela, Rodríguez-Otero, Jesús, Cabaleiro-Lago, Enrique M.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.59 MB

english, 2015

47

Cation-π and anion-π interactions: Changes in aromaticity upon complexation

Jesús Rodríguez-Otero, Enrique M. Cabaleiro-Lago, Angeles Peña-Gallego

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 144 KB

english, 2008

48

An intermolecular potential function for Na+–acetonitrile obtained from ab initio calculations.: Application to liquid simulations

Enrique M. Cabaleiro-Lago, Miguel A. Rı́os

Journal:

Chemical Physics

Year:

1998

Language:

english

File:

PDF, 167 KB

english, 1998

49

A MP2 and DFT study of the influence of complexation on the aromatic character of phosphole

Angeles Peña-Gallego, Jesús Rodríguez-Otero, Enrique M. Cabaleiro-Lago

Journal:

Journal of Molecular Modeling

Year:

2012

Language:

english

File:

PDF, 332 KB

english, 2012

50

DFT Study of Pericyclic and Pseudopericyclic Thermal Cheletropic Decarbonylations. Evaluation of Magnetic Properties

Rodríguez-Otero, Jesús, Cabaleiro-Lago, Enrique M., Hermida-Ramón, Jose M., Peña-Gallego, Angeles

Journal:

Journal of Organic Chemistry

Year:

2003

Language:

english

File:

PDF, 396 KB

english, 2003

To build up a library is to create a life. It’s never just a random collection of books.

— Carlos María Domínguez

Official channel

Z-Library Desktop Launcher

Z-Library Since 2009 support@1delivery.pm

EnglishРусскийEspañolItalianoελληνικάاللغة العربيةBahasa IndonesiaBahasa Malaysiaहिन्दीDeutschFrançaisPortuguêsУкраїнськаPolski中文繁體中文日本語Tiếng ViệtAzərbaycan DiliՀայոց լեզուภาษาไทยTürk Diliქართველიবাংলাپښتوతెలుగుاردو한국어SrpskiБългарски