Professor Maurizio Casarin
Universita degli Studi di Padova
Professor, Chemistry
Italy
My co-authors include
stefano agnoli
Luca Artiglia
Tommaso Carofiglio
My Publications
Double Level Selection in a Constitutional Dynamic Library of Coordination Driven Supra...
Inorganic Chemistry
July 2014
A theoretical study of the L<sub>3</sub> pre-edge XAS in Cu(<scp>ii</scp>) complexes
Physical Chemistry Chemical Physics
January 2014
Simple, common but functional: biocompatible and luminescent rare-earth doped magnesium...
Journal of Materials Chemistry B
January 2014
Inorganic chemistry in a nanoreactor: Au/TiO2 nanocomposites by photolysis of a single-...
Nanoscale
January 2013
Electronic properties of CuPc and H2Pc: an experimental and theoretical study
Physical Chemistry Chemical Physics
January 2013
Electronic properties of tetrakis(pentafluorophenyl)porphyrin
New Journal of Chemistry
January 2013
Miniemulsions as chemical nanoreactors for the room temperature synthesis of inorganic ...
Journal of Materials Chemistry
January 2012
Stability Study of a Magnesium β-Diketonate As Precursor for Chemical Vapor Deposition ...
Chemistry of Materials
February 2011
Fullerene/Porphyrin Multicomponent Nanostructures on Ag(110): From Supramolecular Self-...
ACS Nano
August 2010
ChemInform Abstract: A Comparative Theoretical Investigation of Three Sodalite Systems:...
ChemInform
May 2010
Stability of TiO2 Polymorphs: Exploring the Extreme Frontier of the Nanoscale
ChemPhysChem
May 2010
XAS and GIXRD Study of Co Sites in CoAl<sub>2</sub>O<sub>4</sub> Layers Grown by MOCVD
Chemistry of Materials
February 2010
Tetraphenylporphyrin electronic properties: a combined theoretical and experimental stu...
Physical Chemistry Chemical Physics
January 2010
Hydroxylation of TiO2-B: insights from density functional calculations
Journal of Materials Chemistry
January 2010
Structure and Stability of TiO<sub>2</sub>-B Surfaces: A Density Functional Study
The Journal of Physical Chemistry C
October 2009
Role and effective treatment of dispersive forces in materials: Polyethylene and graphi...
Journal of Computational Chemistry
April 2009
First Principles Study of Hydrated/Hydroxylated TiO<sub>2</sub> Nanolayers: From Isolat...
ACS Nano
January 2009
Stabilized Zirconia-Based Materials for Solid Oxide Fuel Cells (SOFC) obtained by MOCVD...
January 2009
Carbonyl copper(<scp>i</scp>) complexes with hydrotris(1,2,4-triazolyl)borate, hydrotri...
Physical Chemistry Chemical Physics
January 2009
Ultrathin TiO<sub>2</sub> Films on (1×2)-Pt(110): a LEED, Photoemission, STM, and Theor...
The Journal of Physical Chemistry C
November 2008
Density Functional Theory Study of the Binding Capability of Tris(pyrazol-1-yl)methane ...
The Journal of Physical Chemistry A
July 2008
Ab initio modeling of TiO2 nanosheets
Theoretical Chemistry Accounts
February 2008
An experimental and theoretical investigation of the molecular and electronic structure...
New Journal of Chemistry
January 2008
A Theoretical Study of Amine Bonding in Titanium Alkoxide Adducts
Monatshefte für Chemie - Chemical Monthly
September 2007
MgO and CaO stabilized ZrO2 thin films obtained by Metal Organic Chemical Vapor Deposition
Surface and Coatings Technology
September 2007
The Different Supramolecular Arrangements of the Triangular [Cu<sub>3</sub>(μ<sub>3</su...
Crystal Growth & Design
March 2007
Chemistry of and on TiO2-anatase surfaces by DFT calculations: a partial review
Theoretical Chemistry Accounts
December 2006
Bottom-Up Assembly of Single-Domain Titania Nanosheets on ( 1 × 2 ) − Pt ( 110 )
Physical Review Letters
October 2006
First-Principles Studies of Vanadia−Titania Catalysts: Beyond the Monolayer
The Journal of Physical Chemistry B
October 2005
One-Dimensional and Two-Dimensional Coordination Polymers from Self-Assembling of Trinu...
Inorganic Chemistry
August 2005
First Principles Studies of Vanadia?Titania Monolayer Catalysts: Mechanisms of NO Selec...
ChemInform
May 2005
Experimental and QM/MM investigation of the hydrated silica surface reactivity
Chemical Physics Letters
April 2005
First Principles Studies of Vanadia−Titania Monolayer Catalysts: Mechanisms of NO Sele...
The Journal of Physical Chemistry B
January 2005
A theoretical study of the interaction of CO2 with hydroxylated α-alumina
Surface Science
September 2004
A comparative study of the CO chemisorption on Ti2O3(102) and V2O3(102) non-polar surfaces
Surface Science
September 2004
Interstitial O3 in silica: a molecular cluster density functional study
Chemical Physics Letters
July 2004
AlIII Ion Complexes of Saccharic Acid and Mucic Acid: A Solution and Solid-State Study
Chemistry - A European Journal
March 2004
MOCVD Growth and Characterization of Cobalt Phosphide Thin Films on InP Substrates
Journal of The Electrochemical Society
January 2004
A theoretical study of the electronic structure of O2 interstitial impurities in silica
Journal of Molecular Structure THEOCHEM
August 2003
A theoretical study of the chemisorption of H<sub>2</sub>O and H<sub>2</sub>S on the Ti...
Physical Chemistry Chemical Physics
January 2003
Experimental and Theoretical Study of the Interaction of CO<sub>2</sub> with α-Al<sub>2...
Inorganic Chemistry
December 2002
Further Insights into the Structure of [M(η<sup>2</sup>(<i>C,C</i><i>‘</i>)-C<sub>3</su...
Organometallics
May 2002
A Comparative Theoretical Investigation of Three Sodalite Systems: Cd<sub>4</sub>S(AlO...
The Journal of Physical Chemistry B
February 2002
UV-Photoelectron Spectra of [M(η<sup>3</sup>-C<sub>3</sub>H<sub>5</sub>)<sub>2</sub>] (...
Organometallics
January 2001
Theoretical Study of the Chemisorption of CO on Al<sub>2</sub>O<sub>3</sub>(0001)
Inorganic Chemistry
October 2000
Electronic spectroscopy of trivalent lanthanide ions in lead zinc borate glasses
Journal of Alloys and Compounds
April 2000
A theoretical investigation of the relaxation effects induced on the ZnO(101̄0) surface...
Applied Surface Science
April 1999
A theoretical study of the H2O and H2S chemisorption on Cu2O(111)
Applied Surface Science
April 1999
A comparative study of the NH3 chemisorption on ZnO(101̄0) and Cu2O(111) non-polar surf...
Chemical Physics Letters
February 1999
Theoretical Investigation of the Chemisorption of H<sub>2</sub> and CO on the ZnO(101̄0...
Inorganic Chemistry
September 1998
Erratum to “A theoretical study of the CO and NO chemisorption on Cu2O(111)” [Surface S...
Surface Science
March 1998
LCAO-LDA Study of the chemisorption of formate on Cu(110) and Ag(110) surfaces
Journal of the Chemical Society Faraday Transactions
January 1998
A comparative study of CO and NO chemisorption on Cu2O(111) and Ag2O(111) non-polar sur...
Chemical Physics Letters
November 1997
A theoretical study of the CO and NO chemisorption on Cu2O(111)
Surface Science
October 1997
An Experimental and Theoretical Study of the Electronic Structure of Zinc Thiophenolate...
Inorganic Chemistry
October 1997
An LCAO-LDF study of the chemisorption of H2O and H2S on ZnO(0001) and ZnO(101̄0)
Surface Science
April 1997
<i>Ab Initio</i> and Experimental Studies on the Structure and Relative Stability of th...
Inorganic Chemistry
March 1997
A LCAO-LDF study of Br∅nsted acids chemisorption on ZnO(0001)
Surface Science
May 1996
Absorption and luminescence spectroscopy of Nd3+ and Er3+ in a zinc borate glass
Solid State Communications
February 1996
An experimental and theoretical study of the interaction of CH3OH and CH3SH with ZnO
Journal of the Chemical Society Faraday Transactions
January 1996
A theoretical investigation of Brønsted acids chemisorption on ZnO(0001)
Surface Science
December 1995
An angle-scanned photoelectron diffraction study on the surface relaxation of ZnO (0001)
Surface Science
November 1994
Coordination chemistry of CO and NH3 on CuCl(111): an experimental and theoretical stud...
Surface Science
October 1994
A LCAO-LDF study of CO and NH3 chemisorption on ZnO(0001)
Surface Science
April 1994
A LCAO-LDF study of formate chemisorption on Cu(100)
Surface Science
April 1994
Zn4O(O2CNEt2)6: a further molecular model of ZnO
Journal of the Chemical Society Faraday Transactions
January 1993
Molecular-cluster model of the electronic structure of substitutional copper in zinc oxide
Journal of Materials Chemistry
January 1993
The redox behaviour of ferrocene derivatives I. 1,2,3-Tritellura[3]ferrocenophane and 1...
Journal of Organometallic Chemistry
January 1993
Molecular cluster model of the electronic structure of substitutional impurities in gal...
Chemistry of Materials
November 1989
Theoretical, UV-PES, XPS, and Moessbauer investigation of the electronic structure of d...
Inorganic Chemistry
November 1989
UV photoelectron spectra and electronic structure of 1,2-diosmacyclopropane and 1,2-dio...
Organometallics
July 1989
An investigation of the electronic structure of bis(.eta.5-cyclopentadienyl) dicarbonyl...
Organometallics
April 1989
Electronic structure of tetracoordinate transition-metal complexes. 2. Comparative theo...
Inorganic Chemistry
November 1988
Efficient synthesis, redox characteristics, and electronic structure of a tetravalent t...
Organometallics
November 1988
Ruthenium carbonyl 1,4-diaza-1,3-butadiene (R-DAB) complexes. A theoretical and experi...
Journal of the American Chemical Society
March 1988
UV-PE spectra and DV-X.alpha. calculations of some phosphido-bridged dimers
Organometallics
December 1987
Experimental and theoretical studies of the bonding in CpCoS2N2
Organometallics
October 1987
UV photoelectron spectra and DV-X.alpha. calculations on diatomic rhodium formamidinate...
Inorganic Chemistry
October 1987
DV-X.alpha. calculations, UV-PE spectra, and redox properties of nitrosyl-bridged binuc...
Organometallics
March 1987
Electronic structure of nonacarbonylbis(.mu.3-fluoromethylidyne)triiron by means of UV ...
Inorganic Chemistry
February 1987
UV photoelectron spectra and pseudopotential ab initio calculations on trans-dihalobis(...
Inorganic Chemistry
July 1986
Gas-phase UV photoelectron spectra of some edge-bridged decacarbonyltriosmium cluster
Inorganic Chemistry
December 1983
Gas-phase ultraviolet photoelectron spectra of [{Ni(η-C<sub>5</sub>H<sub>5</sub>)}<sub>...
Journal of the Chemical Society Dalton Transactions
January 1983
Theoretical and spectroscopic studies of (.mu.-butatriene)hexacarbonyldiiron compounds
Inorganic Chemistry
November 1982
Gas-phase helium(He I) photoelectron spectra of methinyltricobalt enneacarbonyl clusters
Inorganic Chemistry
March 1982
Electron structure of [{Ni(η<sup>5</sup>-C<sub>5</sub>H<sub>5</sub>)(µ-CO)}<sub>2</sub>...
Journal of the Chemical Society Dalton Transactions
January 1982
On the conformational flexibility of model compounds of β-substituted α, β-unsaturated ...
Journal of Molecular Structure THEOCHEM
January 1982
UV photoelectron spectra of 5- and 6-azauracil
Chemical Physics Letters
May 1981
Electronic structure of some methinyltricobalt enneacarbonyls by means of ultraviolet p...
Journal of Organometallic Chemistry
March 1981
Electronic structure of μ-methylene-bis-[dicarbonyl(η5-cyclopentadienyl)manganese] by U...
Inorganica Chimica Acta
January 1981