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Dr.  Salvador Sedano, Pedro

Personal page

Category
PROFESSOR AGREGAT
Department
QUÍMICA
Area of knowledge
QUÍMICA FÍSICA
Institute
INSTITUT DE QUÍMICA COMPUTACIONAL I CATÀLISI
Research group
Grup de Recerca en Química Teòrica dels Biosistemes (TCBioSys)
ORCID PRC:
0000-0003-1823-7295

Altres

Conference:
5th Girona Seminar on Molecular Similarity. Girona (ESP) 2001.
Title:
New insights on the application of the counterpoise procedure and the chemical hamiltonian approach to decrease the basis set superposition error
Author:
Salvador, P.; Duran, M.

Conferència invitada

Conference:
Current Topics in Theoretical Chemistry Workshop. Quito (ECU) 2019.
Title:
Density Functional Theory and Nonlinear Optical Properties
Author:
Josep M. Luis, Pau Besalú, Sebastian Sitkiewicz, Miroslav Medved, Pedro Salvador, Eduard Matito, Robert Zalesny
Conference:
Second European Symposium on Chemical Bonding. Oviedo (ESP) 2018.
Title:
Deconstructing molecular nonlinear optical properties: from their physical basis to a origin-independent partition
Author:
Josep M. Luis, Marc Montilla, Marc Garcia-Borràs, Robert Zalesny, and Pedro Salvador
Conference:
Current Topics in Theoretical Chemistry 2016. Trujillo (PER) 2016.
Title:
Effective Oxidation States Analysis
Author:
Salvador, P
Conference:
Current Topics in Theoretical Chemistry 2016. Trujillo (PER) 2016.
Title:
Effective atomic orbitals and its application to oxidation states de nition
Author:
Salvador, P
Conference:
XI Girona seminar on carbon, metal, and carbon-metal clusters from theory to applications. Girona (ESP) 2014.
Title:
Local Spin analysis: recent advances and applications
Author:
P. Salvador ; E. Ramos-Cordoba
Conference:
New Approaches in Theoretical Chemistry. Santiago (CHL) 2014.
Title:
New Stringent Constraints for the Two-Particle Cumulant
Author:
Eduard Matito; Eloy Ramos-Cordoba; Mario Piris; Pedro Salvador
Conference:
ISTCP VIII. Budapest (HUN) 2013.
Title:
Oxidation States from Wavefunction Analysis
Author:
P. Salvador ; E. Ramos-Cordoba
Conference:
X Girona Seminar. Girona (ESP) 2012.
Title:
Bonding quandary in Cu3S2 core. Insights from the analysis of domain averaged fermi holes and the analysis of the local spin
Author:
R. Ponec; P. Salvador ; E. Ramos-Cordoba
Conference:
VII SEMINARIO DE ESTUDIOS AVANZADOS DE DISEÑO MOLECULAR Y BIOINFORMÁTICA. la Habana (CUB) 2009.
Title:
Extracting chemical information from ab initio calculations
Author:
Pedro Salvador, Istvan Mayer

Participació comitè organitzador

Conference:
ISTCP IX 2016 Conference. Grand Forks (USA) 2016.
Title:
Organizer of Chemical Insights Symposium
Author:
Salvador; P, Ayers; P.
Conference:
XI Girona Seminar. Girona (ESP) 2014.
Title:
Member of the Local organizing Comitee
Author:
Salvador; P
Conference:
X Girona Seminar. Girona (ESP) 2012.
Title:
Vice-Chairman of the Local organizing Comitee
Author:
Salvador; P
Conference:
IX Girona Seminar. Girona (ESP) 2010.
Title:
Secretary of the Local organizing Comitee
Author:
Salvador; P

Ponència

Conference:
7th Girona Seminar on the Nature of the Chemical Bond. Girona (ESP) 2006.
Title:
Two-atom interaction energies in polyatomic molecules: extension of the Mayer decomposition for the correlated case
Author:
Vyboishchikov, S.F.; Salvador, P.; Duran, M.
Conference:
XXII Reunió de la Xarxa de Química Teòrica de Catalunya. Barcelona (ESP) 2006.
Title:
Validació i aplicació d'APT en estudis de correlació electrònica
Author:
Barroso, J.M.; Salvador, P.; Chaves, J.; Besalú, E.
Conference:
Central European Symposium on Theoretical Chemistry. Balaton (HUN) 2004.
Title:
Atomic decompositions of identity: a general formalism for population analysis and energy decomposition
Author:
Mayer, I.; Salvador, P.; Hamza, A.

Pòster

Conference:
LatinXChem (congreso de química en twitter).  (ARG) 2021.
Title:
Donor-Acceptor properties of ligands from the effective fragment orbitals
Author:
Gerard Comas-Vilà; Pol Vehi; Pedro Salvador
Conference:
LatinXChem (congreso de química en twitter).  (ARG) 2020.
Title:
Can Donor-acceptor bonds stabilize E3 (E=B-Tl) aromatic rings?
Author:
Sergi Danés; Debdeep Mandal; Gerard Comas; Pedro Salvador; Diego M.Andrada
Conference:
QBIC-V. Marseille (FRA) 2019.
Title:
effective oxidation states analysis: characterization of ligand non-innocence
Author:
Martí Gimferrer, Sergi Danés, Pedro Salvador
Conference:
XVII European Summerschool in Quantum Chemistry. Altavilla Milicia (Sicilia) (ITA) 2019.
Title:
Calculation of accurate 2nd hyperpolarizabilities: an easy approach.
Author:
Pau Besalú-Sala, Sebastian P. Sitkiewicz, Pedro Salvador, Eduard Matito, Josep Maria Luis
Conference:
Tools for Chemical Bonding 2019. Bremen (DEU) 2019.
Title:
applications of an energy-based origin-independent decomposition of nonlinear optical properties
Author:
Marc Montilla, Josep M. Luis, Pedro Salvador
Conference:
Tools for Chemical Bonding 2019 (TCB 2019). Bremen (DEU) 2019.
Title:
Characterization of ligand non-Innocence: the case of Redox-induced electron transfer processes
Author:
Martí Gimferrer, Sergi Danés, Montserrat Rodríguez, Pedro Salvador
Conference:
international congress of quantum chemistry (ICQC).  (FRA) 2018.
Title:
characterization of ligand non-innocence: the case of redox induced electron transfer processes
Author:
Martí Gimferrer and Pedro Salvador.
Conference:
16TH INTERNATIONAL CONGRESS OF QUANTUM CHEMISTRY (ICQC) 2018.  (FRA) 2018.
Title:
Design of optimal tuned range separation functionals for the evaluation of nonlinear optical properties
Author:
Pau Besalú-Sala, Sebastian Sitkiewicz, Pedro Salvador, Eduard Matito, Josep M. Luis
Conference:
2nd European Symposium on Chemical Bonding. Oviedo (ESP) 2018.
Title:
applications of an origin-independent energy-based decomposition of nonlinear optical properties
Author:
Marc Montilla, Josep M. Luis, Pedro Salvador
Conference:
256th ACS National Meeting & Exposition. Boston (USA) 2018.
Title:
origin-independent energy-based decomposition of nonlinear optical properties
Author:
Marc Montilla, Josep M. Luis, Pedro Salvador
Conference:
Girona Seminar. Girona (ESP) 2018.
Title:
one- and two-center decomposition of nonlinear optical properties
Author:
Marc Montilla; Josep M. Luis; Pedro Salvador
Conference:
Girona Seminar. Girona (ESP) 2018.
Title:
Origin-independent energy-based decomposition of nonlinear optical properties
Author:
Marc Montilla, Josep M. Luis, Pedro Salvador
Conference:
second european symposium on chemical bonding (ESCB2).  (ESP) 2018.
Title:
exact decompositions of the total KS-DFT exchange-correlation energy into one- and two-center terms
Author:
Martí Gimferrer and Pedro Salvador
Conference:
Second european symposium on chemical bonding (ESCB2). Oviedo (ESP) 2018.
Title:
Some applications of the effective oxidation states analysis
Author:
P. Salvador, M. Gimferrer, A. Poater, E. Ramos-Cordoba, V. Postils
Conference:
Girona Seminar (GiSem).  (ESP) 2018.
Title:
the importance of the oxidation state of the metal in olefin metathesis catalysis.
Author:
Martí Gimferrer; Pedro Salvador and Albert Poater.
Conference:
Jornades d'investigadors predoctorals (JoDoc 2018).  (ESP) 2018.
Title:
DESIGN OF OPTIMAL TUNED RANGE-SEPARATED FUNCTIONALS FOR THE EVALUATION OF NONLINEAR OPTICAL PROPERTIES
Author:
Pau Besalú-Sala, Pedro Salvador, Eduard Matito, Josep M. Luis
Conference:
The Chemical Bonds at the 21st Century, 2017. Aachen (DEU) 2017.
Title:
Prediction of fragmentation patterns of amino acids from molecular energy decomposition schemes
Author:
Lakhlifi, Y; Ramos-Cordoba, E. ; Salvador, P.
Conference:
WATOC 2017. Munich (DEU) 2017.
Title:
Can wavefunction analysis support the (new) definition of oxidation state?
Author:
Postils, V; Delgado-Alonso, C; Salvador, P
Conference:
WATOC 2017. Munich (DEU) 2017.
Title:
Applicability of the Effective Oxidation State analysis
Author:
Postils, V; Delgado-Alonso, C; Luis, J.M.; Salvador, P
Conference:
248th ACS National Meeting & Exposition. San Fransicso  (USA) 2014.
Title:
Recent advances in local spin analysis: quantification and characterization of polyradical character
Author:
E. Ramos-Cordoba; E. Matito ; I. Mayer ; P. Salvador
Conference:
Espa 2012. Barcelona (ESP) 2012.
Title:
Toward a unique definition of the local spin
Author:
E. Ramos-Cordoba ; E. Matito; P. Salvador ; I. Mayer
Conference:
VIIIth Congress on Electronic Structure: Principles and Applications. ESPA 2012 – Barcelona, June 26-29, 2012.  (ESP) 2012.
Title:
Extra stabilization in ring formation due to two Hydrogen Bonds: a density-based indices study
Author:
Guillaumes, L.; Simon, S.; Salvador, P.
Conference:
Euchem 2012. Prague (CZE) 2012.
Title:
Local spin: improved hilbert-space analysis
Author:
E. Ramos-Cordoba ; E. Matito; I. Mayer ; P. Salvador
Conference:
X Girona Seminar . Girona (ESP) 2012.
Title:
Extra stabilization in ring formation due to two hidrogen bonds: a density-based indices study
Author:
L. Guillaumes, S. Simon, P. Salvador
Conference:
WATOC. Santiago de Compostela (ESP) 2011.
Title:
Bonding quandary in Cu3S2 core. Insights from the analysis of domain averaged fermi holes and the analysis of the local spin
Author:
R. Ponec; P. Salvador ; E. Ramos-Cordoba
Conference:
WATOC. Santiago de Compostela (ESP) 2011.
Title:
Applications of an energy decomposition scheme for the prediction of the fragmentation pattern of amino acids
Author:
E. Ramos-Cordoba ; P. Salvador
Conference:
WATOC. Santiago de Compostela (ESP) 2011.
Title:
Calculation of local spins from physical space analysis
Author:
P. Salvador ; E. Ramos-Cordoba ; E. Matito; I. Mayer
Conference:
The 70th Birthday Symposium of Professor Joe Dannenberg . New York  (USA) 2011.
Title:
Computational strategies for the calculation of NMR J-coupling constants in protein models
Author:
P. Salvador ; E. Ramos-Cordoba ; N. Juranic ; J. J. Dannenberg
Conference:
IX Girona Seminar on Electron Density, Density Matrices and Densiy Functional Theory . Girona (ESP) 2010.
Title:
Local spin from physical space partitioning schemes
Author:
E. Ramos-Cordoba; P. Salvador; I. Mayer
Conference:
IX Girona Seminar: Electron Density, Density Matrices and Density Functional Theory. Girona (ESP) 2010.
Title:
Partial Ionic character determines the existence of a maximum of electron sharing between atoms upon dissociation
Author:
Matito, E.; Ramos-Cordoba, E.; Salvador, P.
Conference:
IX Girona Seminar on Electron Density, Density Matrices and Densiy Functional Theory . Girona (ESP) 2010.
Title:
Partial ionic character determines the existence of a maximum of electron sharing between atoms upon dissociation
Author:
Eduard Matito; Eloy Ramos-Cordoba; Pedro Salvador
Conference:
XXV Reunió de la xarxa de referència de química teòrica i computacional de Catalunya. Barcelona (ESP) 2009.
Title:
Direct calculation of 13C’-15N 2−bond J-Couplings in Crambine models. A Density Functional Theory Study
Author:
E. Ramos-Cordoba ; P. Salvador
Conference:
VI Escuela de Química Teórica de la UIB . Palma de Mallorca (ESP) 2007.
Title:
Synthesis and conformational study of an antimicrobial cyclic peptide by molecular dynamics simulation
Author:
Díaz-Cirac, A.; Feliu, L.; Planas, M.; Duran, M.; Salvador,P.;
Conference:
12th International Congress of Quantum Chemistry (ICQC'06). Kioto (JPN) 2006.
Title:
Molecular energy decomposition scheme at correlated level
Author:
Vyboishchikov, S.F.; Salvador, P.; Duran, M.
Conference:
Faraday Discussion 135: Chemical Concepts from Quantum Mechanics. Manchester (GBR) 2006.
Title:
Molecular energy decomposition schemes at correlated level
Author:
Salvador, P.; Asturiol, D.; Matito, E.; Duran, M.; Vyboishchikov, S.F
Conference:
Quantum Chemistry in Belgium, 7th Edition (QCB7). Mons-Hainaut (BEL) 2006.
Title:
Global hardness evaluation using an approximated hardness kernel
Author:
Torrent-Sucarrat, M.; Salvador, P.; Geerlings, P.; Solà, M.
Conference:
Faraday Discussion 135. Chemical Concepts from Quantum Mechanics. Manchester (ENG) 2006.
Title:
The hardness kernel as the basis for global and local reactivity indexes
Author:
Torrent-Sucarrat, M.; Salvador, P.; Solà, M.; Geerlings, P.
Conference:
Chemical Reactivity. A three day International Conference on Theoretical Aspects of Reactivity. Brusel·les (BEL) 2006.
Title:
The Hardness Kernel as the Basis for Global and Local Reactivity Indexes
Author:
Torrent-Sucarrat, M.; Salvador, P.; Solà, M.; Geerlings, P.
Conference:
Faraday Discussions 2006. Manchester (GBR) 2006.
Title:
Topology of a molecular energy density function
Author:
Asturiol, D.; Salvador, P.; Duran, M.
Conference:
International Conference in Computational Methods in Sciences and Engineering (ICCMSE 2005). Loutraki (GRC) 2005.
Title:
A BSSE-free second-order Perturbation theory from Hermitian CHA-SCF Canonic Orbitals
Author:
Asturiol, D.; Salvador, P.; Duran, M.
Conference:
5th Congress of the International Society for Theoretical Chemical Physics. Nueva Orleáns (USA) 2005.
Title:
Molecular Energy Decomposition Schemes
Author:
Salvador, P.; Mayer, I.; Vyboishchikov, S.F.; Duran, M.
Conference:
XX Reunió de la Xarxa de Química Teòrica de Catalunya. Barcelona (ESP) 2004.
Title:
On the use of a molecular energy decomposition scheme as a new tool for understanding chemical reactivity
Author:
Salvador, P.; Duran, M.; Portella, G.; Mayer, I.
Conference:
XX Reunió de la Xarxa de Química Teòrica de Catalunya. Barcelona (ESP) 2004.
Title:
El problema de la definició de fragments en el mètode CP: Comparativa entre la correcció CP i CHA utilitzant reaccions
Author:
Hugas, D.; Salvador, P.; Simon, S.; Duran, M.
Conference:
III Congreso Español de Ingeniería de Alimentos (CESIA 2004). Pamplona (ESP) 2004.
Title:
Efecto del pH y de la concentración de proteína sobre las propiedades espumantes del plasma de cerdo
Author:
Salvador, P.; Fort, N.; Parés, D.; Saguer, E.
Conference:
XX Reunió de la Xarxa de Química Teòrica de Catalunya. Barcelona (ESP) 2004.
Title:
Validació d’un nou mètode de correcció de l’error de superposició de base (BSSE) a nivell post-Hartree-Fock (CHA-S-MP2)
Author:
Asturiol, D.; Duran, M.; Salvador, P.
Conference:
Modeling in Solid State Chemistry (MSSC 2002). Torino (ITA) 2002.
Title:
Comparison of the behaviour of a posteriori and a priori BSSE correction schemes for the study of charged molecular complexes Ab Initio
Author:
Salvador, P.
Conference:
Electronic Structure and Chemical Reactivity. Bellaterra (ESP) 2001.
Title:
On the counterpoise correction of charged molecular complexes
Author:
Salvador, P.; Duran, M.
Conference:
14th Conference-Workshop-Horizons in Hydrogen Bond Research. Torino (ITA) 2001.
Title:
Counterpoise-corrected geometries and harmonic frequencies of N-body cluster. Application ot (HF)n(n03,4)
Author:
Salvador, P.; Duran, M.
Conference:
Electron Densities and Electron Distributions Workshop. Donostia (ESP) 2000.
Title:
Effect of BSSE on the electron density of hydrogen bonded system
Author:
Salvador, P.; Duran, M.; Fradera, X.
Conference:
Electron Densities and Electron Distributions Workshop . Donostia (ESP) 2000.
Title:
Electron density changes caused by the correction of basis set superposition error in molecular complexes
Author:
Salvador, P.
Conference:
2nd European Charge Density Meeting. Sitges (ESP) 1999.
Title:
Electron density changes caused by Basis Set Superposition Error in molecular complexes
Author:
Pere Salvador
Conference:
7th International Conference on Mathematical Chemistry and 3rd Girona Seminar on Molecular Similarity. Girona (ESP) 1997.
Title:
Floating Basis-Based Wavefunctions. Use of a Mixed DIIS-VM Optimisation Procedures
Author:
Pere Salvador

Presentació comunicació

Conference:
V Jornades d'Investigadors Predoctorals de la UdG. Girona (ESP) 2021.
Title:
origin-independent energy-based decomposition of nonlinear optical properties
Author:
Marc Montilla; Josep M. Luis; Pedro Salvador
Conference:
I Virtual GEQC-RSEQ Symposium.  (ESP) 2021.
Title:
Rationalizing the behaviour of paddlewheel transition metal catalysts
Author:
Gerard Comas-Vilà; Anna Pla-Quintana; Pedro Salvador
Conference:
Jornades Predoctorals de la Universitat de Girona.  (ESP) 2021.
Title:
Rationalizing the behaviour of paddlewheel transition metal catalysts
Author:
Gerard Comas-Vilà; Anna Pla-Quintana; Pedro Salvador
Conference:
I Simposio Virtual del Grupo Especializado de Química y Computación. València (ESP) 2021.
Title:
origin-independent energy-based decomposition of (non)linear optical properties
Author:
Marc Montilla; Josep M. Luis; Pedro Salvador
Conference:
XI Trobada de Joves Investigadors dels Països Catalans. Vilanova i la Geltrú (ESP) 2020.
Title:
New optimally-tuned range-separated density functional theory for the accurate calculation of 2nd hyperpolarizabilities
Author:
Pau Besalú-Sala, Pedro Salvador, Eduard Matito, Josep Maria Luis
Conference:
11th European Conference on Theoretical and Computational Chemistry (EUCO-TCC 2017). Barcelona (ESP) 2017.
Title:
Can wavefuntion analysis support the (new) definition of oxidation state?
Author:
Pstils, V; delgado-Alonso, C.; Salvador, P.
Conference:
11th Triennial Congress of the World Association of Theoretical and Computational Chemists. Munich (DEU) 2017.
Title:
Accelerating metal-directed protein folding and molecular recognition with enhanced sampling techniques
Author:
F. Feixas; M. Gimferrer; P. Salvador; M. Garcia-Borràs
Conference:
11th European conference on theoretical computational chemistry (EUCO-TCC 2017). BArcelona (ESP) 2017.
Title:
Can wavefuntion analysis support the (new) definition of oxidation state?
Author:
Postils, V; Delgado-Alonso, C; Salvador, P.
Conference:
253rd ACS National Meeting & Exposition, San Francisco. San Francisco (USA) 2017.
Title:
Unraveling the dynamics of the redox conformational protection of nitrogenase
Author:
F. Feixas; M. Gimferrer; P. Salvador; M. Garcia-Borràs
Conference:
First European Symposium on chemical Bonding. Rouen (FRA) 2016.
Title:
One- and two-center physical space decomposition of the Kohn-Sham Density Functional Theory energy.
Author:
Salvador, P; Gimferrer, M
Conference:
ISTCP IX 2016 Conference. Grand Forks (USA) 2016.
Title:
Bonding description of the Harpoon mechanism
Author:
Matito, E.; Rodríguez-Mayorga, E.; Ramos-Córdoba, E.; Salvador, P.; Solà, M.; Ugalde, J. M.
Conference:
ISTCP IX. Dakota (USA) 2016.
Title:
One- and two-center physical space decomposition of the kohn-sham density functional theory energy.
Author:
P. Salvador, M. Gimferrer
Conference:
XI Girona seminar on carbon, metal, and carbon-metal clusters from theory to applications. Girona (ESP) 2014.
Title:
Effective Oxidation states applied to endohedral metallofullerenes
Author:
E. Ramos-Cordoba; M. Garcia-Borràs ; P. Salvador
Conference:
Workshop New Approaches in Theoretical Chemistry. Santiago de Chile (CHL) 2014.
Title:
A New index for electron correlation
Author:
E. Ramos-Cordoba ; P. Salvador ; E. Matito
Conference:
World Association of Theoretically Oriented Chemists (WATOC). Santiago (CHL) 2014.
Title:
New Stringent Conditions for the Two Particle Cumulant
Author:
Eduard Matito; Eloy Ramos-Cordoba; Mario Piris; Pedro Salvador
Conference:
248th American Chemical Society National Meeting and Exposition. San Francisco (USA) 2014.
Title:
New Stringent Conditions for the Cumulant Matrix
Author:
Eduard Matito; Eloy Ramos-Cordoba; Mario Piris; Pedro Salvador
Conference:
ACS meeting, San Francisco, 10-15 August 2014. San Francisco (USA) 2014.
Title:
Oxidation states from wavefunction analysis:some applications
Author:
Pedro Salvador, Eloy Ramos-Cordoba
Conference:
STC 2012, 48th Symposium on Theoretical Chemistry. Karlsruhe (DEU) 2012.
Title:
Local spin: recent advances and applications
Author:
P. Salvador ; E. Ramos-Cordoba ; E. Matito ; I. Mayer
Conference:
6th International Technology, Education and Development Conference. València (ESP) 2012.
Title:
Webquests as a Didactic Tool in Physical Chemistry
Author:
S. Simon, M. Solà, E. Besalú, J.M. Luís, P. Salvador, S. Vyboishchikov, L. Blancafort, M. Duran
Conference:
X Girona Seminar. Girona (ESP) 2012.
Title:
Toward a unique definition of the local spin
Author:
Ramos-Cordoba, E.; Matito, E.; Mayer, I.; Salvador, P.
Conference:
VII Trobada de joves investigadors dels països catalans . Palma de Mallorca (ESP) 2012.
Title:
Comparació entre Fuzzy i AIM en la descripció dels ponts d’hidrogen
Author:
Guillaumes, L.; Simon, S.; Salvador, P.
Conference:
Girona seminar 2012. Girona (ESP) 2012.
Title:
Toward a unique definition of the local spin
Author:
E. Ramos-Cordoba ; E. Matito; P. Salvador ; I. Mayer
Conference:
10th Central European Symposium on Theoretical Chemistry (CESTC 2011). Torun (POL) 2011.
Title:
Relativistic effects on spectroscopic constants and bonding in metal carbonyl cations M(CO)+ (M+ = Cu+, Ag+, Au+ and Rg+) and M(CO)2+ (M2+ = Zn2+, Cd2+, Hg2+ and Cn2+)
Author:
Styszynski, J.; Matito, E.; Salvador, P.
Conference:
Pacifichem . Honolulu (USA) 2010.
Title:
Local spin in the 3D analysis: Single determinant and correlated case
Author:
E. Ramos-Cordoba ; P. Salvador ; I. Mayer
Conference:
Girona Workshop on Theoretical Chemistry . Girona (ESP) 2010.
Title:
Electron sharing between atoms upon dissociation
Author:
Eduard Matito; Eloy Ramos-Cordoba; Pedro Salvador
Conference:
Pacifichem . Honolulu (USA) 2010.
Title:
Computational study of 13C’-15N 2-bond J-Coupling constants in Crambin models.
Author:
E. Ramos-Cordoba ; P. Salvador
Conference:
Girona Workshop in Theoretical Chemistry. Girona (ESP) 2010.
Title:
Electron Sharing between atoms upon Dissociation
Author:
Matito, E.; Ramos-Cordoba, E.; Salvador, P.
Conference:
XXVI Reunió Anual de la Xarxa de Referencia de Química Teòrica i Computacional . Barcelona (ESP) 2010.
Title:
Molecular basis for high antimicrobial activity of cyclic peptides; a molecular dynamics simulations study
Author:
Díaz-Cirac, A.; Salvador ,P.; Marrink, S. J.; Sengupta, D.
Conference:
XII EPI – Encontro Peptídico Ibérico / Iberian Peptide Meeting. Lisboa (PRT) 2010.
Title:
How do cyclic antimicrobial peptides form a pore?
Author:
Díaz-Cirac, A.; Sengupta, D.; Salvador ,P.; Marrink, S. J.
Conference:
XXIII Xarxa Catalana de Química Teòrica. Tarragona (ESP) 2007.
Title:
Efectes del BSSE intramolecular a la planaritat del benzè i altres sistemes aromàtics
Author:
Asturiol, D.; Duran, M.; Salvador, P.
Conference:
Faraday Discussions 135. Chemical Concepts of Quantum Mechanics. Manchester (ENG) 2006.
Title:
Electron sharing indexes at the correlated level. Application to aromaticity calculations
Author:
Matito, E.; Solà, M.; Salvador, P.; Duran, M.
Conference:
VII Girona Seminar on the Nature of the Chemical Bond. Girona (ESP) 2006.
Title:
The hardness kernel as the basis for global and local reactivity indexes
Author:
Torrent-Sucarrat, M.; Salvador, P.; Solà, M.; Geerlings, P.
Conference:
Pomeranian Quantum Chemistry Workshop. Electronic Structure of Atoms and Molecules. Pobierowo (POL) 2005.
Title:
Molecular energy decomposition schemes
Author:
Vyboishchikov, S.; Salvador, P.; Duran, M.
Conference:
V Girona Seminar on Molecular Similarity. Girona (ESP) 2001.
Title:
New insights on the application of the counterpoise procedure and the chemical Hamiltonian approach to decrease the basis set superposition error
Author:
Salvador, P.; Duran, M.
Conference:
XVII Reunió de la Xarxa de Química Teorica i Computacional de Catalunya. Tarragona (ESP) 2001.
Title:
Correccion del error de superposicion de base en complejos formados por tres (o mas) fragmentos. Aplicacion al trimero y tetramero de HF
Author:
Salvador, P.; Szczesniak, M.M.
Conference:
5th Girona Seminar on Molecular Similarity. Girona (ESP) 2001.
Title:
One- and two-center energies in the framework of the AIM theory
Author:
Salvador, P.; Duran, M.; Mayer, I.
Conference:
IV Girona Seminar on Molecular Similarity. Girona (ESP) 1999.
Title:
Recent Developments on One and Two-Electron Densities: Transferability of Atomic Fermi Holes and Correction of BSSE
Author:
Xavier Fradera
Conference:
XIV Reunió del Grup de Química Teòrica de Catalunya. Girona (ESP) 1998.
Title:
Optimització de Geometries en superficies d'energia potencial corregides per BSSE
Author:
Pedro Salvador

Taula rodona

Conference:
The Chemical Bonds at the 21st Century, 2017. Aachen (DEU) 2017.
Title:
Unusual chemical bonding challenge
Author:
Salvador, P.

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