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