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1

Understanding the Nature of the CH···HC Interactions in Alkanes

Danovich, David, Shaik, Sason, Neese, Frank, Echeverría, Jorge, Aullón, Gabriel, Alvarez, Santiago

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 610 KB

english, 2013

2

Axial Bonding Capabilities of Square Planar d 8 -ML 4 Complexes. Theoretical Study and Structural Correlations

Aullón, Gabriel, Alvarez, Santiago

Journal:

Inorganic Chemistry

Year:

1996

Language:

english

File:

PDF, 187 KB

english, 1996

3

Substrate-Controlled Aldol Reactions from Chiral α-Hydroxy Ketones

Aullón, Gabriel, Romea, Pedro, Urpí, Fèlix

Journal:

Year:

2016

Language:

english

File:

PDF, 1.21 MB

english, 2016

4

Edge-Sharing Binuclear d8 Complexes with XR Bridges: Theoretical and Structural Database Study of their Molecular Conformation

Gabriel Aullón, Gregori Ujaque, Agustí Lledós, Santiago Alvarez

Journal:

Chemistry - A European Journal

Year:

1999

Language:

english

File:

PDF, 322 KB

english, 1999

5

The [M2(CO)8] Complexes of the Cobalt Group

Gabriel Aullón, Santiago Alvarez

Journal:

European Journal of Inorganic Chemistry

Year:

2001

Language:

english

File:

PDF, 303 KB

english, 2001

6

Hexakis(silyl)palladium(VI) or Palladium(II) with η2-Disilane Ligands?

Gabriel Aullón, Agustí Lledós, Santiago Alvarez

Journal:

Angewandte Chemie

Year:

2002

Language:

english

File:

PDF, 98 KB

english, 2002

7

First Evidence of Fast SH⋅⋅⋅S Proton Transfer in a Transition Metal Complex

Gabriel Aullón, Mercè Capdevila, William Clegg, Pilar González-Duarte, Agustí Lledós, Rubén Mas-Ballesté

Journal:

Angewandte Chemie

Year:

2002

Language:

english

File:

PDF, 172 KB

english, 2002

8

Theoretical Clues to the Mechanism of Dioxygen Formation at the Oxygen-Evolving Complex of Photosystem II

Gabriel Aullón, Eliseo Ruiz, Santiago Alvarez

Journal:

Chemistry - A European Journal

Year:

2002

Language:

english

File:

PDF, 357 KB

english, 2002

9

Hexakis(silyl)palladium(VI) or Palladium(II) with η2-Disilane Ligands?

Gabriel Aullón, Agustí Lledós, Santiago Alvarez

Journal:

Angewandte Chemie International Edition

Year:

2002

Language:

english

File:

PDF, 97 KB

english, 2002

10

First Evidence of Fast SH⋅⋅⋅S Proton Transfer in a Transition Metal Complex

Gabriel Aullón, Mercè Capdevila, William Clegg, Pilar González-Duarte, Agustí Lledós, Rubén Mas-Ballesté

Journal:

Angewandte Chemie International Edition

Year:

2002

Language:

english

File:

PDF, 172 KB

english, 2002

11

Chain Conformation and Metal…Metal Contacts in Dimers and Stacks of d8-ML4 Complexes: Electronic Effects

Gabriel Aullón, Santiago Alvarez

Journal:

Chemistry - A European Journal

Year:

1997

Language:

english

File:

PDF, 1.30 MB

english, 1997

12

The Evolution of [{Ph2P(CH2)nPPh2}Pt(μ-S)2Pt{Ph2P(CH2)nPPh2}] (n=2, 3) Metalloligands in Protic Acids: A Cascade of Sequential Reactions

Rubén Mas-Ballesté, Gabriel Aullón, Paul A. Champkin, William Clegg, Claire Mégret, Pilar González-Duarte, Agustí Lledós

Journal:

Chemistry - A European Journal

Year:

2003

Language:

english

File:

PDF, 304 KB

english, 2003

13

Chelating Dialkoxide Titanium Complex: A Versatile Building Block for the Construction of Heterometallic Derivatives

Rosa Fandos, Carolina Hernández, Antonio Otero, Cesar Pastor, Pilar Terreros, Gabriel Aullón, Santiago Álvarez

Journal:

Chemistry - A European Journal

Year:

2007

Language:

english

File:

PDF, 200 KB

english, 2007

14

XX Through-Cage Bonding in Cu, Ni, and Cr Complexes with M3X2 Cores (X=S, As)

Rosa Carrasco, Gabriel Aullón, Santiago Alvarez

Journal:

Chemistry - A European Journal

Year:

2009

Language:

english

File:

PDF, 591 KB

english, 2009

15

ChemInform Abstract: Ligand Orientation Effects on Metal—Metal Bonding

Santiago Alvarez, Gabriel Aullon

Journal:

Year:

2000

File:

PDF, 24 KB

2000

16

Chalcogen—Chalcogen Bonds in Edge-Sharing Square-Planar d8 Complexes. Are They Possible?

Gabriel Aullon, Mohamed Hamidi, Agusti Lledos, Santiago Alvarez

Journal:

Year:

2004

File:

PDF, 65 KB

2004

17

Formation of Sulfur−Sulfur Bonds in Copper Complexes

Gabriel Aullón, Santiago Alvarez

Journal:

European Journal of Inorganic Chemistry

Year:

2004

Language:

english

File:

PDF, 242 KB

english, 2004

18

Ruthenium Complexes Containing Chiral N-Donor Ligands as Catalysts in Acetophenone Hydrogen Transfer – New Amino Effect on Enantioselectivity

Montserrat Gómez, Susanna Jansat, Guillermo Muller, Gabriel Aullón, Miguel Angel Maestro

Journal:

European Journal of Inorganic Chemistry

Year:

2005

Language:

english

File:

PDF, 226 KB

english, 2005

19

“To Bend or not To Bend?” Both! The Planar and Bent Structures of[(Ph3P)4Rh2(μ-F)2]

William J. Marshall, Gabriel Aullón, Santiago Alvarez, Kerwin D. Dobbs, Vladimir V. Grushin

Journal:

European Journal of Inorganic Chemistry

Year:

2006

Language:

english

File:

PDF, 147 KB

english, 2006

20

New Dinuclear MnIII Compounds with 2-MeC6H4COO and 2-FC6H4COO Bridges – Effect of Terminal Monodentate Ligands (H2O, ClO4– and NO3–) on the Magnetic Properties

Gema Fernández, Montserrat Corbella, Gabriel Aullón, Miguel A. Maestro, José Mahía

Journal:

European Journal of Inorganic Chemistry

Year:

2007

Language:

english

File:

PDF, 348 KB

english, 2007

21

Reactivity of a Super-Electron-Rich Olefin Derived from Cyclam

Michael F. Lappert, Santiago Álvarez, Gabriel Aullón, Rosa Fandos, Antonio Otero, Ana Rodríguez, Sergio Rojas, Pilar Terreros

Journal:

European Journal of Inorganic Chemistry

Year:

2009

Language:

english

File:

PDF, 633 KB

english, 2009

22

On the Coordination of Dinitrogen to Group 4 Metallocenes

Benjamin Peigné, Joan Cano, Gabriel Aullón

Journal:

European Journal of Inorganic Chemistry

Year:

2012

Language:

english

File:

PDF, 550 KB

english, 2012

23

Through-ring bonding in edge-sharing dimers of square planar complexes

Gabriel Aullón, Pere Alemany, Santiago Alvarez

Journal:

Journal of Organometallic Chemistry

Year:

1994

Language:

english

File:

PDF, 762 KB

english, 1994

24

Substitution of chloride by nitrosyl ligand in a scorpionate ruthenium(III) compound: A theoretical study

Gabriel Aullón, Santiago Alvarez, Roberto Cao, Mayreli Ortiz, Alicia M. Díaz-García

Journal:

Inorganica Chimica Acta

Year:

2009

Language:

english

File:

PDF, 754 KB

english, 2009

25

Bonding and solvation preferences of nickel complexes [Ni(S2PR2)2] (R=H, Me, OMe) according a natural bond orbital analysis

Alexis Otero-Calvi, Gabriel Aullon, Santiago Alvarez, Luis A. Montero, Wolf-Dieter Stohrer

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2006

Language:

english

File:

PDF, 109 KB

english, 2006

26

Reaction chemistry, NMR spectroscopy, and X-ray crystallography of [Fe2(μ-SiMe2)2(CO)4] and [Fe2(μ-SiMeCl)2(CO)4]. Electronic structure and bonding in Fe2E2 rings of [Fe2(μ-ER2)2(CO)4] binuclear complexes (E=C, Si, Ge, Sn, Pb)

Richard S Simons, Kevin J Galat, John D Bradshaw, Wiley J Youngs, Claire A Tessier, Gabriel Aullón, Santiago Alvarez

Journal:

Journal of Organometallic Chemistry

Year:

2001

Language:

english

File:

PDF, 247 KB

english, 2001

27

Synthesis and study of trinuclear Pd(II) and Pt(II) complexes with 2-mercaptonicotinic acid: Crystal and molecular structure of [Pd3(mercaptonicotinic acid)3Cl3]

Silvia Marchal, Virtudes Moreno, Gabriel Aullón, Santiago Alvarez, Miguel Quirós, Mercè Font-Bardia, Xavier Solans

Journal:

Year:

1999

Language:

english

File:

PDF, 133 KB

english, 1999

28

Oxidation states, atomic charges and orbital populations in transition metal complexes

Gabriel Aullón, Santiago Alvarez

Journal:

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

Year:

2009

Language:

english

File:

PDF, 497 KB

english, 2009

29

Ligand orientation effects on metal–metal, ligand–ligand and metal–ligand interactions

Santiago Alvarez, Ana A. Palacios, Gabriel Aullón

Journal:

Coordination Chemistry Reviews

Year:

1999

Language:

english

File:

PDF, 234 KB

english, 1999

30

Dihydrogen contacts in alkanes are subtle but not faint

Echeverría, Jorge, Aullón, Gabriel, Danovich, David, Shaik, Sason, Alvarez, Santiago

Journal:

Nature Chemistry

Year:

2011

Language:

english

File:

PDF, 1.23 MB

english, 2011

31

Chemistry of Unsaturated Group 6 Metal Complexes with Bridging Hydroxy and Methoxycarbyne Ligands. 1. Synthesis, Structure, and Bonding of 30-Electron Complexes

García, M. Esther, García-Vivó, Daniel, Ruiz, Miguel A., Alvarez, Santiago, Aullón, Gabriel

Journal:

Organometallics

Year:

2007

Language:

english

File:

PDF, 461 KB

english, 2007

32

The Structural Diversity Triggered by Intermolecular Interactions between AuIS2 Groups: Aurophilia and Beyond

Mohammad-Reza Azani, Dr. Oscar Castillo, Dr. M. Luz Gallego, Dr. Teodor Parella, Dr. Gabriel Aullón, Dr. Olga Crespo, Prof. Dr. Antonio Laguna, Prof. Dr. Santiago Alvarez, Dr. Rubén Mas-Ballesté, Dr.

Journal:

Chemistry - A European Journal

Year:

2012

Language:

english

File:

PDF, 1009 KB

english, 2012

33

On the Existence of Molecular Palladium(VI) Compounds: Palladium Hexafluoride

Aullón, Gabriel, Alvarez, Santiago

Journal:

Inorganic Chemistry

Year:

2007

Language:

english

File:

PDF, 109 KB

english, 2007

34

A New Titanium Alkoxide–Thiolate Complex as a Versatile Heterofunctional Metalloligand

Rosa Fandos, Antonio Otero, Ana Rodríguez, Pilar Terreros, Gabriel Aullón, Santiago Álvarez

Journal:

European Journal of Inorganic Chemistry

Year:

2009

Language:

english

File:

PDF, 262 KB

english, 2009

35

Highly fluorescent complexes with gold, palladium or platinum linked to perylene through a tetrafluorophenyl group

Lentijo, Sergio, Aullón, Gabriel, Miguel, Jesús A., Espinet, Pablo

Journal:

Dalton Transactions

Year:

2013

Language:

english

File:

PDF, 1.79 MB

english, 2013

36

1 H NMR Direct Observation of Enantiomeric Exchange in Palladium(II) and Platinum(II) Complexes Containing N , N ‘ Bidentate Aryl-pyridin-2-ylmethyl-amine Ligands

Diez, Virginia, Cuevas, José V., García-Herbosa, Gabriel, Aullón, Gabriel, Charmant, Jonathan P. H., Carbayo, Arancha, Muñoz, Asunción

Journal:

Inorganic Chemistry

Year:

2007

Language:

english

File:

PDF, 198 KB

english, 2007

37

Isomeric Distribution and Catalyzed Isomerization of Cobalt(III) Complexes with Pentadentate Macrocyclic Ligands. Importance of Hydrogen Bonding

Aullón, Gabriel, Bernhardt, Paul V., Bozoglián, Fernando, Font-Bardía, Mercè, Macpherson, Brendan P., Martínez, Manuel, Rodríguez, Carlos, Solans, Xavier

Journal:

Inorganic Chemistry

Year:

2006

Language:

english

File:

PDF, 277 KB

english, 2006

38

On the Bonding Nature of the M.cntdot. .cntdot. .cntdot.M Interactions in Dimers of Square-Planar Pt(II) and Rh(I) Complexes

Novoa, Juan J., Aullon, Gabriel, Alemany, Pere, Alvarez, Santiago

Journal:

Journal of the American Chemical Society

Year:

1995

Language:

english

File:

PDF, 823 KB

english, 1995

39

Six-fold Oxygen-Coordinated Triplet ( S = 1) Palladium(II) Moieties Templated by Tris(bipyridine)ruthenium(II) Ions

Pointillart, Fabrice, Train, Cyrille, Villain, Françoise, Gredin, Patrick, Chamoreau, Lise-Marie, Gruselle, Michel, Aullon, Gabriel, Alvarez, Santiago, Verdaguer, Michel

Journal:

Journal of the American Chemical Society

Year:

2007

Language:

english

File:

PDF, 262 KB

english, 2007

40

Computational Insights on the Geometrical Arrangements of Cu(II) with a Mixed-Donor N 3 S 3 Macrobicyclic Ligand

Algarra, Andrés G., Aullón, Gabriel, Bernhardt, Paul V., Martínez, Manuel

Journal:

Inorganic Chemistry

Year:

2014

Language:

english

File:

PDF, 3.96 MB

english, 2014

41

To Bend or Not To Bend: Dilemma of the Edge-Sharing Binuclear Square Planar Complexes of d 8 Transition Metal Ions

Aullón, Gabriel, Ujaque, Gregori, Lledós, Agustí, Alvarez, Santiago, Alemany, Pere

Journal:

Inorganic Chemistry

Year:

1998

Language:

english

File:

PDF, 141 KB

english, 1998

42

Copper Versus Thioether-Centered Oxidation: Mechanistic Insights into the Non-Innocent Redox Behavior of Tripodal Benzimidazolylaminothioether Ligands

Martínez-Alanis, Paulina R., Sánchez Eguía, Brenda N., Ugalde-Saldívar, Víctor M., Regla, Ignacio, Demare, Patricia, Aullón, Gabriel, Castillo, Ivan

Journal:

Chemistry - A European Journal

Year:

2013

Language:

english

File:

PDF, 770 KB

english, 2013

43

Chalcogen−Chalcogen Bonds in Edge-Sharing Square-Planar d 8 Complexes. Are They Possible?

Aullón, Gabriel, Hamidi, Mohamed, Lledós, Agustí, Alvarez, Santiago

Journal:

Inorganic Chemistry

Year:

2004

Language:

english

File:

PDF, 208 KB

english, 2004

44

Genuine Examples of Tetrahedral Tetradentate Sulfide Ligand Bridging Four Pd Atoms: Controlled Formation of [(μ 4 -S){(μ 2 -X)Pd 2 (C ∧ N) 2 } 2 ] (X = OH or Cl; HC ∧ N = p -C 2 H 5 OC 6 H 4 CHNC 6 H 4

Benavente, Rut, Espinet, Pablo, Martín-Álvarez, José M., Miguel, Jesús A., Aullón, Gabriel

Journal:

Inorganic Chemistry

Year:

2007

Language:

english

File:

PDF, 207 KB

english, 2007

45

Structural Correlations and Conformational Preference in Edge-Sharing Binuclear d 8 Complexes with XR 2 Bridges. A Theoretical Study

Aullón, Gabriel, Lledós, Agustí, Alvarez, Santiago

Journal:

Inorganic Chemistry

Year:

2000

Language:

english

File:

PDF, 151 KB

english, 2000

46

Molecular Structures of Edge-Sharing Square-Planar Dinuclear Complexes with Unsaturated Bridges

Aullón, Gabriel, Alvarez, Santiago

Journal:

Inorganic Chemistry

Year:

2001

Language:

english

File:

PDF, 113 KB

english, 2001

47

Effects of Tris(pyrazolyl)borato Ligand Substituents on Dioxygen Activation and Stabilization by Copper Compounds

Aullón, Gabriel, Gorun, Sergiu M., Alvarez, Santiago

Journal:

Inorganic Chemistry

Year:

2006

Language:

english

File:

PDF, 209 KB

english, 2006

48

Molecular Structure and Isomerization in Square-Planar Edge-Sharing Dinuclear Complexes with Alkynyl Bridges

Aullón, Gabriel, Alvarez, Santiago

Journal:

Organometallics

Year:

2002

Language:

english

File:

PDF, 103 KB

english, 2002

49

Unexpected Influence of the Counteranion in the κ 2 vs κ 3 Hapticity of Polydentate N -Donor Ligands in [Rh I ( N -ligand)L 2 ] + Complexes

Aullón, Gabriel, Esquius, Glòria, Lledós, Agustí, Maseras, Feliu, Pons, Josefina, Ros, Josep

Journal:

Organometallics

Year:

2004

Language:

english

File:

PDF, 294 KB

english, 2004

50

Theoretical Study of Bonding, Structure, and Vibrational Spectra of the [Fe 2 (CO) 8 ] 2- Anion and Its Derivatives †

Aullón, Gabriel, Alvarez, Santiago

Journal:

Organometallics

Year:

2001

Language:

english

File:

PDF, 119 KB

english, 2001

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