2010-2014

• Isostructural Second-Order Phase Transition of β-Bi2O3 at High Pressures: An Experimental and Theoretical Study
  A.L.J. Pereira, J.A. Sans, R. Vilaplana, O. Gomis, F.J. Manjón, A. Muñoz, C. Popescu and A. Beltran
  Journal of Physical Chemistry C 2014, 10.1021/jp507826,

 

• Pressure effects on the vibrational properties of α-Bi₂O₃: an experimental and theoretical study.
  A.L.J. Pereira, O. Gomis, J.A. Sans, J. Pellicer-Porres, F.J. Manjón, A. Beltran, P. Rodríguez-Hernández and A. Muñoz
  Journal of Physics: Condensed Matter 2014, 26, 225401

 

• Potentiated Electron Transference in α-Ag2WO4 Microcrystals with Ag Nanofilaments as Microbial Agent V.M. Longo, C.C. De Foggi, M.M. Ferrer, A.F. Gouveia, R.S. André, W. Avansi, C.E. Vergani, A.L. Machado, J. Andrés, L.S. Cavalcante, A.C. Hernandes and E. Longo
  The Journal of Physical Chemistry A 2014, 118, 5769-5778

 

• Toward an Understanding of the Growth of Ag Filaments on alpha-Ag2WO4 and Their Photoluminescent Properties: A Combined Experimental and Theoretical Study
  E. Longo, D.P. Volanti, V.M. Longo, L. Gracia, I.C. Nogueira, M.A.P. Almeida, A.N. Pinheiro, M.M. Ferrer, L.S. Cavalcante and J. Andres
  Journal of Physical Chemistry C 2014, 118, 1229-1239

 

• Structural, electronic and optical properties of Fe(III) complex with pyridine-2,6-dicarboxylic acid: A combined experimental and theoretical study
  F.A. La Porta, P.H. Ramos, E.C. de Resende, M.C. Guerreiro, J.O.S. Giacoppo, T.C. Ramalho, J.R. Sambrano, J. Andres and E. Longo
  Inorganica Chimica Acta 2014, 416, 200-206

 

• Zinc blende versus wurtzite ZnS nanoparticles: control of the phase and optical properties by tetrabutylammonium hydroxide
  F.A. La Porta, J. Andres, M.S. Li, J.R. Sambrano, J.A. Varela and E. Longo
  Physical Chemistry Chemical Physics 2014, 16, 20127-20137

 

• Flexural behavior and water absorption of asymmetrical sandwich composites from natural fibers and cork agglomerate core
  R. Hoto, G. Furundarena, J.P. Torres, E. Munoz, J. Andres and J.A. Garcia
  Materials Letters 2014, 127, 48-52

 

• Oxygen Atom Transfer Reactions from Mimoun Complexes to Sulfides and Sulfoxides. A Bonding Evolution Theory Analysis
  P. Gonzalez-Navarrete, F.R. Sensato, J. Andres and E. Longo
  Journal of Physical Chemistry A 2014, 118, 6092-6103

 

• Silver Molybdate and Silver Tungstate Nanocomposites with Enhanced Photoluminescence
  Y.V.B. De Santana, J.E. Cardoso Gomez, L. Matos, G.H. Cruvinel, A. Perrin, C. Perrin, J. Andrés, A.J. Varela and E. Longo
  Nanomater Nanotechnol 2014, 4, 22

 

• Insight into the Effects of Fe Addition on the Local Structure and Electronic Properties of SrTiO3
  L.F. da Silva, J.-C. M’Peko, J. Andres, A. Beltran, L. Gracia, M.I.B. Bernardi, A. Mesquita, E. Antonelli, M.L. Moreira and V.R. Mastelaro
  Journal of Physical Chemistry C 2014, 118, 4930-4940

 

• A novel ozone gas sensor based on one-dimensional (1D) alpha-Ag2WO4 nanostructures
  L.F. da Silva, A.C. Catto, W. Avansi, Jr., L.S. Cavalcante, J. Andres, K. Aguir, V.R. Mastelaro and E. Longo
  Nanoscale 2014, 6, 4058-4062

 

• Quantum chemical topological analysis of hydrogen bonding in HX…HX and CH3X…HX dimers (X =  Br, Cl, F)
  R.A. Cormanich, R.T. Santiago, F.A. La Porta, M.P. Freitas, R. Rittner, E.F.F. da Cunha, J. Andres, E. Longo and T.C. Ramalho
  Molecular Simulation 2014, 1-10

 

• First-Principles Study of Pressure-Induced Phase Transitions and Electronic Properties of Ag2MoO4
  A. Beltran, L. Gracia, E. Longo and J. Andres
  Journal of Physical Chemistry C 2014, 118, 3724-3732

 

• Effect of polyvinyl alcohol on the shape, photoluminescence and photocatalytic properties of PbMoO4 microcrystals
  V.D. Araújo, R.L. Tranquilin, F.V. Motta, C.A. Paskocimas, M.I.B. Bernardi, L.S. Cavalcante, J. Andres, E. Longo and M.R.D. Bomio
  Materials Science in Semiconductor Processing 2014, 26, 425-430

 

• Structural and electronic analysis of the atomic scale nucleation of Ag on alpha-Ag2WO4 induced by electron irradiation
  J. Andres, L. Gracia, P. Gonzalez-Navarrete, V.M. Longo, W. Avansi, Jr., D.P. Volanti, M.M. Ferrer, P.S. Lemos, F.A. La Porta, A.C. Hernandes and E. Longo
  Scientific reports 2014, 4,

 

• Unraveling reaction mechanisms by means of Quantum Chemical Topology Analysis
  J. Andrés, P. González-Navarrete and V.S. Safont
  International Journal of Quantum Chemistry 2014, 114, 1239-1252

 

• Following the Molecular Mechanism for the NH3 + LiH -> LiNH2 + H-2 Chemical Reaction: A Study Based on the Joint Use of the Quantum Theory of Atoms in Molecules (QTAIM) and Noncovalent Interaction (NCI) Index
  J. Andres, S. Berski, J. Contreras-Garcia and P. Gonzalez-Navarrete
  Journal of Physical Chemistry A 2014, 118, 1663-1672

 

• New insight into the electronic structure of iron(IV)-oxo porphyrin compound I. A quantum chemical topological analysis
  I. Viciano, S. Berski, S. Marti and J. Andres
  Journal of Computational Chemistry 2013, 34, 780-789

 

• Structural study of alpha-Bi2O3 under pressure
  A.L.J. Pereira, D. Errandonea, A. Beltran, L. Gracia, O. Gomis, J.A. Sans, B. Garcia-Domene, A. Miquel-Veyrat, F.J. Manjon, A. Munoz and C. Popescu
  Journal of Physics-Condensed Matter 2013, 25,

 

• Novel Microwave-Hydrothermal Synthesis of Single-crystalline Co3O4 Spinel Nanocubes
  T.A. Mulinari, F.d.A. La Porta, J. Andrés, M. Cilense, J.A. Varela and E. Longo
  CrystEngComm 2013, 15, 7443-7449

 

• Quantum mechanical modeling of excited electronic states and their relationship to cathodoluminescence of BaZrO₃
  M.L. Moreira, J. Andrés, L. Gracia, A. Beltrán, L.A. Montoro, J.A. Varela and E. Longo
  Journal of Applied Physics 2013, 114, 043714

 

• Experimental and theoretical approach of nanocrystalline TiO2 with antifungal activity
  V.M. Longo, F.C. Picon, C. Zamperini, A.R. Albuquerque, J.R. Sambrano, C.E. Vergani, A.L. Machado, J. Andres, A.C. Hernandes, J.A. Varela and E. Longo
  Chemical Physics Letters 2013, 577, 114-120

 

• Direct in situ observation of the electron-driven synthesis of Ag filaments on [agr]-Ag2WO4 crystals
  E. Longo, L.S. Cavalcante, D.P. Volanti, A.F. Gouveia, V.M. Longo, J.A. Varela, M.O. Orlandi and J. Andres
  Sciemtific Reports 2013, 3,

 

• Synthesis of wurtzite ZnS nanoparticles using the microwave assisted solvothermal method
  F.A. La Porta, M.M. Ferrer, Y.V.B. de Santana, C.W. Raubach, V.M. Longo, J.R. Sambrano, E. Longo, J. Andres, M.S. Li and J.A. Varela
  Journal of Alloys and Compounds 2013, 556, 153-159

 

• Toward an Understanding of the Hydrogenation Reaction of MO₂ Gas-Phase Clusters (M = Ti, Zr, and Hf)
  P. Gonzalez-Navarrete, M. Calatayud, J. Andres, F. Ruiperez and D. Roca-Sanjuan
  The Journal of Physical Chemistry A 2013, 117, 5354-5364

 

• Compression of scheelite-type SrMoO4 under quasi-hydrostatic conditions: Redefining the high-pressure structural sequence
  D. Errandonea, L. Gracia, R. Lacomba-Perales, A. Polian and J.C. Chervin
  Journal of Applied Physics 2013, 113, –

 

• Long-range and short-range structures of cube-like shape SrTiO₃powders: microwave-assisted hydrothermal synthesis and photocatalytic activity

  L.F. da Silva, W. Avansi, J. Andres, C. Ribeiro, M.L. Moreira, E. Longo and V.R. Mastelaro
  Physical Chemistry Chemical Physics 2013, 15, 12386-12393

 

• A combined theoretical and experimental study of electronic structure and optical properties of β-ZnMoO₄ microcrystalsL.S. Cavalcante, E. Moraes, M.A.P. Almeida, C.J. Dalmaschio, N.C. Batista, J.A. Varela, E. Longo, M. Siu Li, J. Andres and A. Beltran
  Polyhedron 2013, 54, 13-25

 

• Structural refinement, growth mechanism, infrared/Raman spectroscopies and photoluminescence properties of PbMoO4 crystals
  M.R.D. Bomio, L.S. Cavalcante, M.A.P. Almeida, R.L. Tranquilin, N.C. Batista, P.S. Pizani, M.S. Li, J. Andres and E. Longo
  Polyhedron 2013, 50, 532-545

 

• 
  M. Bomio, R.L. Tranquilin, F.V. Motta, C.A. Paskocimas, R.M. Nascimento, L. Gracia, J. Andrés and E. Longo
  The Journal of Physical Chemistry C 2013, 117 21382–21395

 

• 
  T.F. Beltrán, M. Feliz, R. Llusar, V.S. Safont and C. Vicent
  European Journal of Inorganic Chemistry 2013, n/a-n/a

 

• Structural and Electronic Properties of Lithiated SnO2. A Periodic DFT Study
  F.R. Sensato, L. Gracia, A. Beltrán, J. Andrés and E. Longo
  Journal of Physical Chemistry C 2012, 116, 16127-16137

 

• Synthesis, optical and ferroelectric properties of PZT thin films: experimental and theoretical investigation
  D.S.L. Pontes, L. Gracia, F.M. Pontes, A. Beltrán, J. Andrés and E. Longo
  Journal of Materials Chemistry 2012, 22, 6587-6596

 

• 
  A.L.J. Pereira, L. Gracia, D. Santamaria-Perez, R. Vilaplana, F.J. Manjón, D. Errandonea, M. Nalin and A. Beltrán
  Physical Review B 2012, 85, 174108

 

• Structural and Electronic Effects of Incorporating Mn in TiO2 Films Grown by Sputtering: Anatase versus Rutile
  A.L.J. Pereira, L. Gracia, A. Beltrán, P.N. Lisboa-Filho, J.H.D. da Silva and J. Andrés
  Journal of Physical Chemistry C 2012, 116, 8753-8762

 

• 
  A.L.J. Pereira, P.N.L. Filho, J. Acuna, I.S. Brandt, A.A. Pasa, A.R. Zanatta, J. Vilcarromero, A. Beltran and J.H.D. da Silva
  Journal of Applied Physics 2012, 111, 113513-113511

 

• Quantum Mechanics Insight on the Microwave Nucleation of SrTiO3 Nanospheres
  M.L. Moreira, V.M. Longo, W. Avansi Jr, M.M. Ferrer, J. Andrés, V.R. Mastelaro, J.A. Varela and E. Longo
  The Journal of Physical Chemistry C 2012, 116, 24792-24808

 

• SnO2 nanocrystals synthesized by microwave-assisted hydrothermal method: towards a relationship between structural and optical properties
  P.G. Mendes, M.L. Moreira, S.M. Tebcherani, M.O. Orlandi, J. Andrés, M.S. Li, N. Diaz-Mora, J.A. Varela and E. Longo
  Journal of Nanoparticle Research 2012, 14, 750

 

• CaSO4 and Its Pressure-Induced Phase Transitions. A Density Functional Theory Study
  L. Gracia, A. Beltrán, D. Errandonea and J. Andrés
  Inorganic Chemistry 2012, 51, 1751-1759

 

• Electronic fluxes during diels-alder reactions involving 1,2-benzoquinones: mechanistic insights from the analysis of electron localization function and catastrophe theory
  P. González-Navarrete, L.R. Domingo, J. Andrés, S. Berski and B. Silvi
  Journal of computational chemistry 2012, 33, 2400-2411

 

• How a Quantum Chemical Topology Analysis Enables Prediction of Electron Density Transfers in Chemical Reactions. The Degenerated Cope Rearrangement of Semibullvalene
  P. González-Navarrete, J. Andrés and S. Berski
  The Journal of Physical Chemistry Letters 2012, 3, 2500-2505

 

• Relationship between Crystal Shape, Photoluminescence, and Local Structure in SrTiO3 Synthesized by Microwave-Assisted Hydrothermal Method
  L.F. da Silva, W. Avansi, M.L. Moreira, A. Mesquita, L.J.Q. Maia, J. Andrés, E. Longo and V.R. Mastelaro
  Journal of Nanomaterials 2012, 890397,

 

• Novel SrTi1-xFexO3 nanocubes synthesized by microwave-assisted hydrothermal method
  L.F. da Silva, W. Avansi, Jr., M.L. Moreira, J. Andrés, E. Longo and V.R. Mastelaro
  Crystengcomm 2012, 14, 4068-4073

 

• 
  L.S. Cavalcante, J.C. Sczancoski, J.A. Varela, E. Longo, J. Andres and S.K. Rout
  Journal of Nanomaterials 2012, 2012, 2

 

• 
  M.R.D. Bomio, L.S. Cavalcante, M.A.P. Almeida, R.L. Tranquilin, N.C. Batista, P.S. Pizani, M. Siu Li, J. Andres and E. Longo
  Polyhedron 2012, Volume 50,, 532–545

 

• Mechanism of the catalytic gas-phase aldehyde production from trinuclear W3S4 complexes bearing W-OEt groups (vol 177, pg 72, 2011)
  T.F. Beltrán, M. Feliz, R. Llusar, V.S. Safont and C. Vicent
  Catalysis Today 2012, 182, 80-81

 

• Nature of the ring-closure process along the rearrangement of octa-1,3,5,7-tetraene to cycloocta-1,3,5-triene from the perspective of the electron localization function and catastrophe theory
  J. Andrés, S. Berski, L.R. Domingo and P. González-Navarrete
  Journal of Computational Chemistry 2012, 33, 748-756

 

• 
  M.A.P. Almeida, L.S. Cavalcante, C. Morilla-Santos, P.N. Lisboa Filho, A. Beltrán, J. Andrés, L. Gracia and E. Longo
  Materials Characterization 2012, 73, 124-129

 

• Insight into Copper-Based Catalysts: Microwave-Assisted Morphosynthesis, In Situ Reduction Studies, and Dehydrogenation of Ethanol
  D.P. Volanti, A.G. Sato, M.O. Orlandi, J.M.C. Bueno, E. Longo and J. Andres
  Chemcatchem 2011, 3, 839-843

 

• Nanostructured Alumina from Freeze-Dried Precursors
  R. Villanueva, A. Gomez, P. Burguete, E. Martinez, A. Beltran, F. Sapina, M. Vicent and E. Sanchez
  Journal of the American Ceramic Society 2011, 94, 237-244

 

• Theoretical Investigation of the Hydrogenation of (TiO2)N Clusters (N = 1–10)
  O.A. Syzgantseva, P. Gonzalez-Navarrete, M. Calatayud, S. Bromley and C. Minot
  The Journal of Physical Chemistry C 2011, 115, 15890-15899

 

• 
  D.G. Stroppa, L.A. Montoro, A. Beltrán, T.G. Conti, R.O. da Silva, J. Andrés, E.R. Leite and A.J. Ramirez
  Chemistry – A European Journal 2011, 17, 11515-11519

 

• Anomalous oriented attachment growth behavior on SnO2 nanocrystals
  D.G. Stroppa, L.A. Montoro, A. Beltran, T.G. Conti, R.O. da Silva, J. Andres, E.R. Leite and A.J. Ramirez
  Chemical Communications 2011, 47, 3117-3119

 

• A joint computational and experimental study of a novel dioxomolybdenum(VI) complex bearing chiral N,N-dimethyllactamide ligand
  F.R. Sensato, Q.B. Cass, B.R. Lopes, T.C. Lourenco, J. Zukerman-Schpector, E.R.T. Tiekink, E. Longo and J. Andres
  Inorganica Chimica Acta 2011, 375, 41-46

 

• High-pressure study of the behavior of mineral barite by x-ray diffraction
  D. Santamaria-Perez, L. Gracia, G. Garbarino, A. Beltran, R. Chulia-Jordan, O. Gomis, D. Errandonea, C. Ferrer-Roca, D. Martinez-Garcia and A. Segura
  Physical Review B 2011, 84,

 

• N, P, and As Ylides and Aza- and Arsa-Wittig Reactions from Topological Analyses of Electron Density
  A. Sanchez-Gonzalez, S. Melchor, J.A. Dobado, B. Silvi and J. Andres
  Journal of Physical Chemistry A 2011, 115, 8316-8326

 

• Radio luminescence properties of decaoctahedral BaZrO3
  M.L. Moreira, D.P. Volanti, J. Andres, P.J.R. Montes, M.E.G. Valerio, J.A. Varela and E. Longo
  Scripta Materialia 2011, 64, 118-121

 

• On the reversed crystal growth of BaZrO3 decaoctahedron: shape evolution and mechanism
  M.L. Moreira, J. Andres, V.R. Mastelaro, J.A. Varela and E. Longo
  CrystEngComm 2011, 13, 5818-5824

 

• Topological Study of the Late Steps of the Artemisinin Decomposition Process: Modeling the Outcome of the Experimentally Obtained Products
  P. Moles, M. Oliva and V.S. Safont
  Journal of Physical Chemistry B 2011, 115, 333-346

 

• 
  N.B. Luque, E. Santos, J. Andres and F. Tielens
  Langmuir 2011, 27, 14514-14521

 

• A Joint Experimental and Theoretical Study on the Nanomorphology of CaWO4 Nanocrystals
  V.M. Longo, L. Gracia, D.G. Stroppa, L.S. Cavalcante, M.O. Orlandi, A.J. Ramirez, E.R. Leite, J. Andrés, A. Beltran Flors, J.A. Varela and E. Longo
  The Journal of Physical Chemistry C 2011, 115, 20113–20119

 

• Hierarchical Assembly of CaMoO4 Nano-Octahedrons and Their Photoluminescence Properties
  V.M. Longo, L.S. Cavalcante, E.C. Paris, J.C. Sczancoski, P.S. Pizani, M.S. Li, J. Andres, E. Longo and J.A. Varela
  Journal of Physical Chemistry C 2011, 115, 5207-5219

 

• 
  R. Hernandez-Molina, P. Gili, M.N. Sokolov and V.S. Safont
  Inorganica Chimica Acta 2011, 376, 10-17

 

• 
  L. Gracia, V.M. Longo, L.S. Cavalcante, A. Beltran, W. Avansi, M.S. Li, V.R. Mastelaro, J.A. Varela, Longo;E. and J. Andres
  Journal of Applied Physics 2011, 110, 043501

 

• A Theoretical Study on the Pressure-Induced Phase Transitions in the Inverse Spinel Structure Zn2SnO4
  L. Gracia, A. Beltran and J. Andres
  Journal of Physical Chemistry C 2011, 115, 7740-7746

 

• 
  M.C. Gomes, D.M.G. Leite, J.R. Sambrano, J.H.D. da Silva, A.R. de Souza and A. Beltrán
  Surface Science 2011, 605, 1431-1437

 

• Molecular mechanism of chorismate mutase activity of promiscuos MbtI
  S. Ferrer, S. Marti, J. Andres, V. Moliner, I. Tunon and J. Bertran
  Theoretical Chemistry Accounts 2011, 128, 601-607

 

• Pressure-induced phase transitions in AgClO4
  D. Errandonea, L. Gracia, A. Beltran, A. Vegas and Y. Meng
  Physical Review B 2011, 84,

 

• Photolumiscent Properties of Nanorods and Nanoplates Y2O3:Eu3+
  A.P. de Moura, L.H. de Oliveira, E.C. Paris, M.S. Li, J. Andres, J.A. Varela, E. Longo and I.L.V. Rosa
  Journal of Fluorescence 2011, 21, 1431-1438

 

• An improved method for preparation of SrTiO3 nanoparticles
  L.F. da Silva, L.J.Q. Maia, M.I.B. Bernardi, J.A. Andres and V.R. Mastelaro
  Materials Chemistry and Physics 2011, 125, 168-173

 

• 
  R. Castillo and J. Andres
  Letters in Organic Chemistry 2011, 8, 104-107

 

• Olefin Epoxidation by Molybdenum Peroxo Compound: Molecular Mechanism Characterized by the Electron Localization Function and Catastrophe Theory
  S. Berski, F.R. Sensato, V. Polo, J. Andres and V.S. Safont
  Journal of Physical Chemistry A 2011, 115, 514-522

 

• Mechanism of the catalytic gas-phase aldehyde production from trinuclear W3S4 complexes bearing W-OEt groups
  T.F. Beltrán, M. Feliz, R. Llusar, V.S. Safont and C. Vicent
  Catalysis Today 2011, 177, 72-78

 

• Mechanism of the Catalytic Hydrodefluorination of Pentafluoropyridine by Group Six Triangular Cluster Hydrides Containing Phosphines: A Combined Experimental and Theoretical Study
  T.F. Beltran, M. Feliz, R. Llusar, J.A. Mata and V.S. Safont
  Organometallics 2011, 30, 290-297

 

• 
  J. Andrés, S. Berski, L.R. Domingo, V. Polo and B. Silvi
  Current Organic Chemistry 2011, 15, 3566-3575(3510)

 

• Efficient microwave-assisted hydrothermal synthesis of CuO sea urchin-like architectures via a mesoscale self-assembly
  D.P. Volanti, M.O. Orlandi, J. Andres and E. Longo
  Crystengcomm 2010, 12, 1696-1699

 

• Electronic structure and optical properties of BaMoO4 powders
  J.C. Sczancoski, L.S. Cavalcante, N.L. Marana, R.O. da Silva, R.L. Tranquilin, M.R. Joya, P.S. Pizani, J.A. Varela, J.R. Sambrano, M.S. Li, E. Longo and J. Andres
  Current Applied Physics 2010, 10, 614-624

 

• A Topological Study of the Decomposition of 6,7,8-Trioxabicyclo[3.2.2]nonane Induced by Fe(II): Modeling the Artemisinin Reaction with Heme
  P. Moles, M. Oliva, A. Sanchez-Gonzalez and V.S. Safont
  Journal of Physical Chemistry B 2010, 114, 1163-1173

 

• 
  S. Martí, J. Andrés, V. Moliner, E. Silla, I. Tuñón and J. Bertrán
  Interdisciplinary Sciences: Computational Life Sciences 2010, 2, 115-131

 

• An efficient microwave-assisted hydrothermal synthesis of BaZrO3 microcrystals: growth mechanism and photoluminescence emissions
  L.R. Macario, M.L. Moreira, J. Andres and E. Longo
  Crystengcomm 2010, 12, 3612-3619

 

• On the photoluminescence behavior of samarium-doped strontium titanate nanostructures under UV light. A structural and electronic understanding
  V.M. Longo, M.D.S. Costa, A.Z. Simoes, I.L.V. Rosa, C.O.P. Santos, J. Andres, E. Longo and J.A. Varela
  Physical Chemistry Chemical Physics 2010, 12, 7566-7579

 

• A theoretical study on the photoluminescence of SrTiO3
  L. Gracia, J. Andres, V.M. Longo, J.A. Varela and E. Longo
  Chemical Physics Letters 2010, 493, 141-146

 

• Unraveling the Mechanisms of the Selective Oxidation of Methanol to Formaldehyde in Vanadia Supported on Titania Catalyst
  P. Gonzalez-Navarrete, L. Gracia, M. Calatayud and J. Andres
  Journal of Physical Chemistry C 2010, 114, 6039-6046

 

• Density Functional Theory Study of the Oxidation of Methanol to Formaldehyde on a Hydrated Vanadia Cluster
  P. Gonzalez-Navarrete, L. Gracia, M. Calatayud and J. Andres
  Journal of Computational Chemistry 2010, 31, 2493-2501

 

• The Role of Solvent on the Mechanism of Proton Transfer to Hydride Complexes: The Case of the [W3PdS4H3(dmpe)(3)(CO)](+) Cubane Cluster
  A.G. Algarra, M.G. Basallote, M. Feliz, M.J. Fernandez-Trujillo, R. Llusar and V.S. Safont
  Chemistry-a European Journal 2010, 16, 1613-1623