P. Salvador

发表

Decoupling of Transport, Charge Storage, and Interfacial Charge Transfer in the Nanocrystalline TiO2/Electrolyte System by Impedance Methods

Juan Bisquert, Germà Garcia-Belmonte, Francisco Fabregat-Santiago, 2002 .

Imaging Techniques for the Study of Photodegradation of Dye Sensitization Cells*

H. Tributsch, P. Salvador, M. Turrión, 1999 .

Patterns of efficiency and degradation in dye sensitization solar cells measured with imaging techniques

H. Tributsch, K. Ellmer, P. Salvador, 2002 .

Flatband Potential of F:SnO2 in a TiO2 Dye-Sensitized Solar Cell: An Interference Reflection Study

P. Salvador, M. Turrión, ‡. A. J. Bisquert, 2003 .

Microwave Assisted Direct Nucleation Control for Batch Crystallization: Crystal Size Control with Reduced Batch Time

Zoltan K. Nagy, Richard Lakerveld, Herman J. M. Kramer, 2016 .

Influence of pH on the Potential Dependence of the Efficiency of Water Photo‐oxidation at n ‐ TiO2 Electrodes

P. Salvador, 1981 .

The molecular basis for antimicrobial activity of pore-forming cyclic peptides.

Durba Sengupta, Siewert J Marrink, Pedro Salvador, 2011, Biophysical journal.

Kinetic approach to the photocurrent transients in water photoelectrolysis at n-titanium dioxide electrodes. 1. Analysis of the ratio of the instantaneous to steady-state photocurrent

P. Salvador, 1985 .

C–H⋯O H-bonded complexes: How does basis set superposition error change their potential-energy surfaces?

P. Salvador, M. Duran, J. Dannenberg, 2000 .

Subbandgap photoresponse of n-TiO2 electrodes: Transient photocurrent-time behaviour

P. Salvador, 1987 .

Scrutinizing the Noninnocence of Quinone Ligands in Ruthenium Complexes: Insights from Structural, Electronic, Energy, and Effective Oxidation State Analyses.

F. De Proft, P. Salvador, B. Pinter, 2016, Inorganic chemistry.

Counterpoise-corrected geometries and harmonic frequencies of N-body clusters: Application to (HF)n (n=3,4)

P. Salvador, M. Szczęśniak, 2003 .

Determination of carrier concentration from photoelectrolysis spectra of semiconducting electrodes

P. Salvador, 1980 .

Kinetic Approach to the Photocurrent Transients in Water Photoelectrolysis at n ‐ TiO2 Electrodes II . Analysis of the Photocurrent‐Time Dependence

R. M. Benito, P. Salvador, D. Tafalla, 1990 .

Catalytic role of lattice defects in the photoassisted oxidation of water at (001) n-titanium(IV) oxide rutile

P. Salvador, F. Muñoz, M.L.García González, 1992 .

Photocatalytic oxidation on nanostructured chalcogenide modified titanium dioxide

N. Alonso‐Vante, P. Salvador, P. Salvador, 2004 .

Localized photoelectrochemical etching with micrometric lateral resolution on transition metal diselenide photoelectrodes

A. M. Chaparro, P. Salvador, A. Mir, 1997 .

Optical constants determination in bilayers: Application to CdSe/Ti and CdSe/SnO2

P. Salvador, M. T. Gutiérrez, F. Rueda, 1986 .

Diradical character from the local spin analysis.

P. Salvador, Eloy Ramos‐Cordoba, 2014, Physical chemistry chemical physics : PCCP.

A basis set superposition error‐free second‐order perturbation theory from Hermitian chemical Hamiltonian approach self‐consistent field canonic orbitals

P. Salvador, I. Mayer, 2021, International Journal of Quantum Chemistry.

Comprehensive Kinetic and Mechanistic Analysis of TiO2 Photocatalytic Reactions According to the Direct–Indirect Model: (I) Theoretical Approach

P. Salvador, J. Peral, J. Montoya, 2014 .

Potential Distribution and Photovoltage Origin in Nanostructured TiO2 Sensitization Solar Cells: An Interference Reflection Study

P. Salvador, M. Turrión, B. Macht, 2001 .

Knölker Iron Catalysts for Hydrogenation Revisited: A Nonspectator Solvent and Fine-Tuning

A. Poater, P. Salvador, M. Solà, 2022, Organometallics.

Computational Monitoring of Oxidation States in Olefin Metathesis

A. Poater, P. Salvador, Martí Gimferrer, 2019 .

The ''Direct-Indirect'' model: An alternative kinetic approach in heterogeneous photocatalysis based on the degree of interaction of dissolved pollutant species with the semiconductor surface

P. Salvador, R. Gómez, D. Monllor-Satoca, 2007 .

Characterization and Quantification of Polyradical Character.

P. Salvador, Eloy Ramos‐Cordoba, 2014, Journal of chemical theory and computation.

Analysis of the physical properties of TiO2Be electrodes in the photoassisted oxidation of water

P. Salvador, 1982 .

The influence of niobium doping on the efficiency of n-TiO2 electrode in water photoelectrolysis

P. Salvador, 1980 .

Illumination intensity dependence of the photovoltage in nanostructured TiO2 dye-sensitized solar cells.

J. Bisquert, A. Zaban, P. Salvador, 2005, The journal of physical chemistry. B.

Photoelectronic properties of a Ti0,97 Ru0,03 O2 biphasic crystal in an aqueous electrolyte

F. Lévy, P. Salvador, C. Gutiérrez, 1984 .

Mechanisms of water photooxidation at n-TiO2 rutile single crystal oriented electrodes under UV illumination in competition with photocorrosion

P. Salvador, 2011 .

Semiconductor Photooxidation of Pollutants Dissolved in Water: A Kinetic Model for Distinguishing between Direct and Indirect Interfacial Hole Transfer. I. Photoelectrochemical Experiments with Polycrystalline Anatase Electrodes under Current Doubling and Absence of Recombination

M. Neumann-Spallart, P. Salvador, R. Gómez, 2004 .

Photoelectrochemical behavior of nanostructured WO3 thin-film electrodes: The oxidation of formic acid.

P. Salvador, R. Gómez, A. Rodes, 2006, Chemphyschem : a European journal of chemical physics and physical chemistry.

Luminescence and photoelectrochemistry of CdS thin film electrodes

P. Salvador, F. Decker, I. Jiménez, 1985 .

The behaviour of aluminum -doped n-TiO2 electrodes in the photoassisted oxidation of water

P. Salvador, 1980 .

Experimental evidence of a UV light-induced long-range electric field in nanostructured TiO2 thin films in contact with aqueous electrolytes.

J. Bisquert, I. Mora‐Seró, P. Salvador, 2005, The journal of physical chemistry. B.

The scanning microscope for semiconductor characterization: photocurrent, photovoltage and electrolyte electroreflectance imaging at the n-MoSe2/I− interface

A. M. Chaparro, P. Salvador, A. Mir, 1997 .

The scanning microscope for semiconductor characterization (SMSC) : study of the influence of surface morphology on the photoelectrochemical behavior of an n-MoSe2 single crystal electrode by photocurrent and electrolyte electroreflectance imaging

A. M. Chaparro, P. Salvador, A. Mir, 1996 .

GaAs electrolyte electroreflectance: low-field spectra and flat-band potential shift measurements

L. Soto, P. Salvador, Yolanda Díez, 1991 .

Analysis of the photocurrent transient behaviour associated with flatband potential shifts during water splitting at n-TiO2 electrodes

P. Salvador, D. Tafalla, 1989 .

Determination of electron diffusion lengths in nanostructured oxide electrodes from photopotential maps obtained with the scanning microscope for semiconductor characterization

P. Salvador, T. Lana-Villarreal, R. Gómez, 2006 .

Comprehensive Kinetic and Mechanistic Analysis of TiO2 Photocatalytic Reactions According to the Direct–Indirect Model: (II) Experimental Validation

D. Bahnemann, P. Salvador, J. Peral, 2014 .

Intramolecular basis set superposition error effects on the planarity of benzene and other aromatic molecules: a solution to the problem.

P. Salvador, M. Duran, D. Asturiol, 2008, The Journal of chemical physics.

Cage‐size effects on the encapsulation of P2 by fullerenes

P. Salvador, M. Solà, D. Andrada, 2022, J. Comput. Chem..

Oxidation State Localized Orbitals: A Method for Assigning Oxidation States Using Optimally Fragment-Localized Orbitals and a Fragment Orbital Localization Index.

M. Head‐Gordon, Abdulrahman Aldossary, P. Salvador, 2021, Journal of chemical theory and computation.

An Objective Alternative to IUPAC's Approach To Assign Oxidation States

P. Salvador, J. Luis, Verònica Postils, 2018, Angewandte Chemie.

An Objective Alternative to IUPAC's Approach To Assign Oxidation States.

P. Salvador, J. Luis, Verònica Postils, 2018, Angewandte Chemie.

Csp2–H Amination Reactions Mediated by Metastable Pseudo-Oh Masked Aryl-CoIII-nitrene Species

P. Salvador, O. Planas, X. Ribas, 2022, Inorganic chemistry.

Dependence upon basis sets of trans hydrogen-bond 13C-15N 3-bond and other scalar J-couplings in amide dimers used as peptide models. A density functional theory study

P. Salvador, J. Dannenberg, 2004 .

Benchmark calculations of metal carbonyl cations: relativistic vs. electron correlation effects.

P. Salvador, E. Matito, J. Styszyński, 2013, Physical chemistry chemical physics : PCCP.

The direct–indirect kinetic model in photocatalysis: A reanalysis of phenol and formic acid degradation rate dependence on photon flow and concentration in TiO2 aqueous dispersions

Jorge Velásquez, P. Salvador, J. Montoya, 2009 .

Photoelectrocatalytic Study of Water Oxidation at n ‐ RuS2 Electrodes

N. Alonso‐Vante, H. Tributsch, P. Salvador, 1998 .

Local spins: improved Hilbert-space analysis.

P. Salvador, I. Mayer, Eloy Ramos‐Cordoba, 2012, Physical chemistry chemical physics : PCCP.

Convergence acceleration techniques for non-Hermitian SCF problems†

P. Salvador, 2009 .

Analysis of the transient photocurrent-time behaviour of a sintered n-SrTiO3 electrode in water photoelectrolysis

P. Salvador, C. Gutiérrez, 1984 .

Thermodynamic and kinetic considerations about water splitting and competitive reactions in a photoelectrochemical cell

P. Salvador, 1988 .

Bent and Linear {CoNO}8 Entities: Structure and Bonding in a Prototypic Class of Nitrosyls.

D. Schröder, P. Salvador, P. Klüfers, 2021, Inorganic chemistry.

Photoelectrochemical behavior of nanostructured TiO(2) thin-film electrodes in contact with aqueous electrolytes containing dissolved pollutants: a model for distinguishing between direct and indirect interfacial hole transfer from photocurrent measurements.

J. Bisquert, I. Mora‐Seró, P. Salvador, 2005, The journal of physical chemistry. B.

The generation of hydrogen peroxide during water photoelectrolysis at n-titanium dioxide

P. Salvador, F. Decker, 1984 .

The influence of surface fluorination in the photocatalytic behaviour of TiO2 aqueous dispersions: An analysis in the light of the direct–indirect kinetic model

P. Salvador, J. Montoya, 2010 .

Mechanistic Insights into the Oxidative and Reductive Quenching Cycles of Transition Metal Photoredox Catalysts through Effective Oxidation State Analysis.

P. Salvador, B. Pinter, C. Sandoval-Pauker, 2022, Inorganic chemistry.

Macroscopic diffusion of methanol in a sodium and a decationated Y-zeolite

P. Salvador, M.L.García González, 1976 .

Reply to the ‘Comment on “The oxidation state in low-valent beryllium and magnesium compounds”’ by S. Pan and G. Frenking, Chem. Sci., 2022, 13, DOI: 10.1039/D2SC04231B

P. Salvador, I. Corral, C. B. Yildiz, 2022, Chemical science.

Local spin analysis and chemical bonding.

Markus Reiher, Pedro Salvador, Eloy Ramos-Cordoba, 2013, Chemistry.

Surface reactivity of zeolites type H-Y and Na-Y with methanol

P. Salvador, W. Kladnig, 1977 .

Structural dependencies of protein backbone 2JNC′ couplings

Gabriel Cornilescu, S. Macura, J. Markley, 2008, Protein science : a publication of the Protein Society.

Bonding quandary in the [Cu3S2]3+ core: insights from the analysis of domain averaged fermi holes and the local spin.

Pedro Salvador, Robert Ponec, Eloy Ramos-Cordoba, 2013, The journal of physical chemistry. A.

XPS study of the dependence on stoichiometry and interaction with water of copper and oxygen valence states in the YBa2Cu3O7−x compound

J. Fierro, P. Salvador, J. Amador, 1989 .

A de voe theory approach to transition metal complexes stereochemistry

C. Rosini, P. Salvador, M. Zandomeneghi, 1976 .

Analysis of the Relative Stabilities of Ortho, Meta, and Para MClY(XC4H4)(PH3)2 Heterometallabenzenes (M = Rh, Ir; X = N, P; Y = Cl and M = Ru, Os; X = N, P; Y = CO)

P. Salvador, M. Solà, Jordi Poater, 2013 .

Crystal structure, luminescence, and photoelectrochemistry of thin electroplated Cd-chalcogenide layers

P. Salvador, F. Decker, M. Brasil, 1985 .

Unveiling the Electronic Structure of the Bi(+1)/Bi(+3) Redox Couple on NCN and NNN Pincer Complexes

P. Salvador, Martí Gimferrer, D. Andrada, 2021, Inorganic chemistry.

Dynamic electrolyte electroreflectance measurements for the in situ detection of flatband potential shift

P. Salvador, 1992 .

Direct measurements of flat-band potential shifts under illumination of the semiconductor-electrolyte interface by electrolyte electroreflectance

P. Salvador, D. Tafalla, M. Pujadas, 1989 .

Facing the Challenges of Borderline Oxidation State Assignments Using State-of-the-Art Computational Methods.

M. Head‐Gordon, A. Bell, P. Salvador, 2020, Inorganic chemistry.

Electrolyte Electroreflectance and Photoelectrochemical Topological Investigation of Polycrystalline CuInSe2 Electrodes by Scanning Light‐Spot Optical Microscopy

B. Scrosati, P. Salvador, F. Decker, 1988 .

A new tuned range-separated density functional for the accurate calculation of second hyperpolarizabilities.

P. Salvador, J. Luis, E. Matito, 2020, Physical chemistry chemical physics : PCCP.

Not Guilty on Every Count: The “Non‐Innocent” Nitrosyl Ligand in the Framework of IUPAC′s Oxidation‐State Formalism

D. Schröder, P. Salvador, Jens Popp, 2020, Angewandte Chemie.

Study of Water Layers Adsorbed on Na‐ and Ca‐Montmorillonite by the Pulsed Nuclear Magnetic Resonance Technique

P. Salvador, P. Salvador, R. Touillaux, 1968 .

Analysis of the Mechanisms of Electron Recombination in Nanoporous TiO2 Dye-Sensitized Solar Cells. Nonequilibrium Steady-State Statistics and Interfacial Electron Transfer via Surface States

Juan Bisquert, Pedro Salvador, J. Bisquert, 2002 .

The hardness kernel as the basis for global and local reactivity indices

Paul Geerlings, Pedro Salvador, Miquel Solà, 2008, J. Comput. Chem..

Dependencies of J-Couplings upon Dihedral Angles on Proteins

P. Salvador, 2014 .

Molecular diffusion and proton exchange in methanol adsorbed by a sodium and a hydrogen Y zeolite

P. Salvador, J. Fripiat, 1975 .

Density functional study of ternary FexCoy Niz (x + y + z = 7) clusters

A. Vega, P. Salvador, F. Aguilera-Granja, 2013, Theoretical Chemistry Accounts.

On the quality of the hardness kernel and the Fukui function to evaluate the global hardness

Paul Geerlings, Pedro Salvador, Miquel Solà, 2007, J. Comput. Chem..

Intermolecular bond lengths: extrapolation to the basis set limit on uncorrected and BSSE‐corrected potential energy hypersurfaces

Sándor Suhai, Pedro Salvador, Béla Paizs, 2001 .

Toward a Unique Definition of the Local Spin.

Pedro Salvador, Eduard Matito, Eloy Ramos-Cordoba, 2012, Journal of chemical theory and computation.

The scanning microscope for semiconductor characterization (SMSC): electrolyte electroreflectance and photovoltage imaging study of the electrochemical activation of RuS2 photoelectrodes for oxygen evolution

N. Alonso‐Vante, H. Tributsch, P. Salvador, 1998 .

A comparative study of the electroreduction of polycrystalline and single crystal CdS electrodes: implications for h2 evolution in colloidal suspensions

P. Salvador, I. Ferrer, M. Pujadas, 1987 .

Dissecting the hindered rotation of ethane.

P. Salvador, I. Mayer, D. Asturiol, 2009, Chemphyschem : a European journal of chemical physics and physical chemistry.

Nine questions on energy decomposition analysis

Farnaz Heidar-Zadeh, Paul W. Ayers, Roberto Álvarez Boto, 2019, J. Comput. Chem..

Surface chemistry and interfacial charge-transfer mechanisms in photoinduced oxygen exchange at O2-TiO2 interfaces.

P. Salvador, J. Peral, J. Montoya, 2011, Chemphyschem : a European journal of chemical physics and physical chemistry.

Can We Safely Obtain Formal Oxidation States from Centroids of Localized Orbitals?

P. Salvador, Martí Gimferrer, Gerard Comas-Vilà, 2020, Molecules.

On the Nature of Photogenerated Radical Species Active in the Oxidative Degradation of Dissolved Pollutants with TiO2 Aqueous Suspensions: A Revision in the Light of the Electronic Structure of Adsorbed Water

P. Salvador, P. Salvador, 2007 .

Catalytic role of bridging oxygens in TiO2 liquid phase photocatalytic reactions: analysis of H216O photooxidation on labeled Ti18O2

D. Bahnemann, P. Salvador, J. Peral, 2017 .

Separation of dynamic and nondynamic correlation.

P. Salvador, Eloy Ramos‐Cordoba, E. Matito, 2016, Physical chemistry chemical physics : PCCP.

Electron sharing indexes at the correlated level. Application to aromaticity calculations.

Pedro Salvador, Miquel Solà, Eduard Matito, 2007, Faraday discussions.

A general efficient implementation of the BSSE‐free SCF and MP2 methods based on the chemical Hamiltonian approach

I. Mayer, Pedro Salvador, D. Asturiol, 2006, J. Comput. Chem..

One- and two-center physical space partitioning of the energy in the density functional theory.

P. Salvador, I. Mayer, 2007, The Journal of chemical physics.

Two new constraints for the cumulant matrix.

P. Salvador, Eloy Ramos‐Cordoba, E. Matito, 2014, The Journal of chemical physics.

Oxidation States from Wave Function Analysis.

P. Salvador, Eloy Ramos‐Cordoba, Verònica Postils, 2015, Journal of chemical theory and computation.

The atomic orbitals of the topological atom.

P. Salvador, I. Mayer, Eloy Ramos‐Cordoba, 2013, The Journal of chemical physics.

Effective atomic orbitals for fuzzy atoms.

P. Salvador, I. Mayer, 2009, The Journal of chemical physics.

Second-order Møller-Plesset perturbation theory without basis set superposition error. II. Open-shell systems.

P. Salvador, I. Mayer, 2004, The Journal of chemical physics.

Basis set superposition error-counterpoise corrected potential energy surfaces. Application to hydrogen peroxide⋯X (X=F−, Cl−, Br−, Li+, Na+) complexes

P. Salvador, M. Duran, J. Dobado, 1999 .

Excess charge delocalization in organic and biological molecules: some theoretical notions

A. Voityuk, P. Salvador, M. Solà, 2009 .

Intramolecular Basis Set Superposition Error Effects on the Planarity of DNA and RNA Nucleobases.

P. Salvador, M. Duran, D. Asturiol, 2009, Journal of chemical theory and computation.

On the photoelectrochemical etching of polycrystalline CdS thin film electrodes in SO2-3 electrolytes

P. Salvador, J. Velasco, I. Ferrer, 1985 .

A chemical Hamiltonian approach study of the basis set superposition error changes on electron densities and one- and two-center energy components

X. Fradera, P. Salvador, M. Duran, 2002 .

Polarizability of the nitrate anion and its solvation at the air/water interface

Pedro Salvador, Douglas J. Tobias, Pavel Jungwirth, 2003 .

Catalytic Role of Surface Oxygens in TiO2 Photooxidation Reactions: Aqueous Benzene Photooxidation with Ti(18)O2 under Anaerobic Conditions.

D. Bahnemann, P. Salvador, J. Peral, 2013, The journal of physical chemistry letters.

BSSE-free hardness profiles of hydrogen bond exchange in the hydrogen fluoride dimer

P. Salvador, M. Duran, M. Torrent‐Sucarrat, 2006 .

Photoelectrochemical characterization and optimization of a liquid-junction photovoltaic cell based on electrodeposited CdSe thin films: influence of annealing and photoetching on the physical parameters determining the cell performance

P. Salvador, M. T. Gutiérrez, P. Salvador, 1987 .

Exceptionally low charge trapping enables highly efficient organic bulk heterojunction solar cells

J. V. Ortiz, G. A. Petersson, K., 2020 .

Catalytic role of TiO(2) terminal oxygen atoms in liquid-phase photocatalytic reactions: oxidation of aromatic compounds in anhydrous acetonitrile.

D. Bahnemann, P. Salvador, J. Peral, 2014, Chemphyschem : a European journal of chemical physics and physical chemistry.

The effect of counterpoise correction and relaxation energy term to the internal rotation barriers: Application to the BF3⋯NH3 and C2H4⋯SO2 dimers

P. Salvador, M. Duran, 1999 .

Comparison of the AIM delocalization index and the Mayer and fuzzy atom bond orders.

P. Salvador, M. Solà, M. Duran, 2005, The journal of physical chemistry. A.

Observation of E0 and E1 transitions in AlGaP alloys by electrolyte electroreflectance

P. Salvador, G. Armelles, J. Rodriguez, 1989 .

Mechanisms of charge transfer at the semiconductor‐electrolyte interface: Oxygen electroreduction at naked and platinized n‐TiO2 electrodes

P. Salvador, D. Tafalla, 1987 .

Photosynthetic production of H2O2 from water at n-TiO2 electrodes in a photoelectrochemical cell: influence of electrolyte pH AND Pt electrodeposition

P. Salvador, D. Tafalla, 1987 .

Comment on “Kinetic Investigation on the Mechanism of the Photoelectrochemical Oxidation of Water and of Competing Hole Processes at the TiO2 (Rutile) Semiconductor Electrode” [J. Electrochem. Soc., 132, 2357]

P. Salvador, D. Tafalla, 1986 .

Detection of surface states associated with adsorbed hydrogen peroxide on titanium dioxide by impedance and electrolyte electroreflectance measurements

P. Salvador, I. Ferrer, H. Muraki, 1986 .

Photoluminescence and electroluminescence mechanisms at polycrystalline CdS in air and in contact with aqueous electrolytes

P. Salvador, I. Ferrer, 1989 .

Charge recombination imaging at the WSe2/I− interface

A. M. Chaparro, B. Coll, V. Caselles, 1993 .

Digital imaging of the effect of photoetching on the photoresponse of n-type tungsten diselenide and molybdenum diselenide single crystal electrodes

A. M. Chaparro, P. Salvador, A. Mir, 1996 .

Rational Design of Cyclic Antimicrobial Peptides Based on BPC194 and BPC198

P. Salvador, L. Feliu, M. Planas, 2017, Molecules.

Does Serial Femtosecond Crystallography Depict State-Specific Catalytic Intermediates of the Oxygen-Evolving Complex?

D. Pantazis, F. Neese, P. Salvador, 2023, Journal of the American Chemical Society.

Force Decomposition Analysis: A Method to Decompose Intermolecular Forces into Physically Relevant Component Contributions.

M. Head‐Gordon, Abdulrahman Aldossary, P. Salvador, 2023, The journal of physical chemistry. A.

Performance of 3D‐space‐based atoms‐in‐molecules methods for electronic delocalization aromaticity indices

Patrick Bultinck, Pedro Salvador, Miquel Solà, 2011, J. Comput. Chem..

Origin-Independent Decomposition of the Static Polarizability.

P. Salvador, J. Luis, M. Montilla, 2021, Journal of chemical theory and computation.

Photovoltage dependence on film thickness and type of illumination in nanoporous thin film electrodes according to a simple diffusion model

P. Salvador, R. Gómez, 2005 .

Bonding description of the Harpoon mechanism†

P. Salvador, M. Solà, Eloy Ramos‐Cordoba, 2015, 1510.07687.

Semiconductors' Photoelectrochemistry: A Kinetic and Thermodynamic Analysis in the Light of Equilibrium and Nonequilibrium Models

P. Salvador, 2001 .

Comments on the published article “Effects of hydroxyl radicals and oxygen species on the 4-chlorophenol degradation by photoeletrocatalytic reactions with TiO2-film electrodes by J. Yang, J. Dai, Ch. Chen, J. Zhao; J. Photochem. Photobiol. A: Chem. 208 (2009) 66–77”☆☆☆

P. Salvador, J. Peral, J. Montoya, 2010 .

Photoetching of polycrystalline n‐CdS film electrodes in a photoelectrochemical cell: An electrolyte electroreflectance study

P. Salvador, I. Ferrer, 1987 .

Aromaticity measures from fuzzy-atom bond orders (FBO). The aromatic fluctuation (FLU) and the para-delocalization (PDI) indexes.

P. Salvador, M. Solà, M. Duran, 2006, The journal of physical chemistry. A.

Electrolyte electroreflectance: Easy and reliable flat-band potential measurements

P. Salvador, M. Pujadas, J. Gandı́a, 1988 .

Electrolyte electroabsorption: A spectroscopic technique for thin film semiconducting electrodes

P. Salvador, F. Decker, M. Pujadas, 1987 .

Counterpoise Corrected Ion/Molecule Complexes Using Two or Three Fragments

P. Salvador, M. Duran, J. Dannenberg, 2002 .

Accurate 57Fe Mössbauer Parameters from General Gaussian Basis Sets

P. Salvador, Gerard Comas-Vilà, 2021, Journal of chemical theory and computation.

Overlap populations, bond orders and valences for fuzzy atoms

P. Salvador, I. Mayer, 2004 .

Communication: An approximation to Bader's topological atom.

P. Salvador, Eloy Ramos‐Cordoba, 2013, The Journal of chemical physics.

Mechanisms of photoluminescence at cds polycrystalline electrodes in contact with aqueous electrolytes

P. Salvador, I. Ferrer, 1987 .

On the effect of the BSSE on intermolecular potential energy surfaces. Comparison of a priori and a posteriori BSSE correction schemes

Sándor Suhai, Pedro Salvador, Béla Paizs, 2001, J. Comput. Chem..

The effect of aqueous solvation upon alpha-helix formation for polyalanines.

P. Salvador, J. Dannenberg, Amaparo Asensio, 2007, The journal of physical chemistry. B.

Dynamics of the Oxygen‐Evolving RuS2/Electrolyte Interface An Electroreflectance Study

A. M. Chaparro, N. Alonso‐Vante, H. Tributsch, 1997 .

EER and Photocurrent Transient Investigation of the Photoassisted Evolution of Hydrogen at an Electroplatinized TiO2 Single Crystal Implications to Water Splitting at Suspensions

P. Salvador, M. Pujadas, 1989 .

Calculation of trans-hydrogen-bond 13C-15N three-bond and other scalar J-couplings in cooperative peptide models. A density functional theory study.

Pedro Salvador, Robert Wieczorek, P. Salvador, 2004, Journal of the American Chemical Society.

Exact decompositions of the total KS-DFT exchange-correlation energy into one- and two-center terms.

P. Salvador, Martí Gimferrer, 2023, The Journal of chemical physics.

Merging the Energy Decomposition Analysis with the Interacting Quantum Atoms Approach

P. Salvador, Martí Gimferrer, D. Andrada, 2023, Journal of chemical theory and computation.

Energy partitioning for "fuzzy" atoms.

P. Salvador, I. Mayer, 2004, The Journal of chemical physics.

One- and two-center energy components in the atoms in molecules theory

P. Salvador, M. Duran, I. Mayer, 2001 .

The scanning microscope for semiconductor characterization (SMSC): Comparative study of the influence of surface defects on the photoelectrochemical behavior of n-WSe2 and n-MoSe2 layered compounds

A. M. Chaparro, P. Salvador, A. Mir, 1996 .

Direct calculation of trans-hydrogen-bond 13C-15N 3-bond J-couplings in entire polyalanine alpha-helices. A density functional theory study.

P. Salvador, R. Wieczorek, J. Dannenberg, 2007, The journal of physical chemistry. B.

Effect of basis set superposition error on the electron density of molecular complexes

X. Fradera, P. Salvador, M. Duran, 2000 .

A fuzzy-atom analysis of electron delocalization on hydrogen bonds.

P. Salvador, S. Simon, L. Guillaumes, 2014, The journal of physical chemistry. A.

Dissecting the hindered rotation of ethane.

P. Salvador, I. Mayer, D. Asturiol, 2009, Chemphyschem : a European journal of chemical physics and physical chemistry.

Ab initio energy partitioning at the correlated level

P. Salvador, S. F. Vyboishchikov, 2006 .

Density functional energy decomposition into one- and two-atom contributions.

P. Salvador, M. Duran, S. F. Vyboishchikov, 2005, The Journal of chemical physics.

A Kinetic Model for Distinguishing between Direct and Indirect Interfacial Hole Transfer in the Heterogeneous Photooxidation of Dissolved Organics on TiO2 Nanoparticle Suspensions

P. Salvador, R. Gómez, T. L. Villarreal, 2004 .

An Objective Alternative to IUPAC's Approach To Assign Oxidation States.

P. Salvador, Verònica Postils, Carlos Delgado‐Alonso, 2018, Angewandte Chemie.

Basis set superposition error-counterpoise corrected potential energy surfaces. Application to hydrogen peroxideflX ÑX5F 2 ,C l 2 ,

P. Salvador, M. Duran, J. Dobado, 2010 .

Catalytic Role of Surface Oxygens in TiO2 Photooxidation Reactions: Aqueous Benzene Photooxidation with Ti(18)O2 under Anaerobic Conditions.

D. Bahnemann, P. Salvador, J. Peral, 2013, The journal of physical chemistry letters.

Intermolecular bond lengths: extrapolation to the basis set limit on uncorrected and BSSE-corrected potential energy hypersurfaces

Sándor Suhai, Pedro Salvador, Béla Paizs, 2001, J. Comput. Chem..