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TITLE: Charge Parametrization of the DvH-c(3) Heme Group: Validation Using Constant-(pH,E) Molecular Dynamics Simulations
AUTHORS: Joao Henriques; Paulo J Costa ; Maria Jose Calhorda ; Miguel Machuqueiro ;
PUBLISHED: 2013, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 117, ISSUE: 1
INDEXED IN: Scopus WOS CrossRef
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2
TITLE: Cytotoxicities of Polysubstituted Chlorodicarbonyl(cyclopentadienyl) and (Indenyl)ruthenium Complexes  Full Text
AUTHORS: Denys Mavrynsky; Jani Rahkila; Daniel Bandarra; Soraia Martins; Margarida Meireles; Maria Jose Calhorda ; Ida J Kovacs; Istvan Zupko; Mikko M Hanninen; Reko Leino;
PUBLISHED: 2013, SOURCE: ORGANOMETALLICS, VOLUME: 32, ISSUE: 10
INDEXED IN: Scopus WOS CrossRef
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TITLE: Mo(II) complexes of 8-aminoquinoline and their immobilization in MCM-41  Full Text
AUTHORS: Marta S Saraiva; Carla D Nunes ; Teresa G Nunes ; Maria Jose Calhorda ;
PUBLISHED: 2013, SOURCE: APPLIED CATALYSIS A-GENERAL, VOLUME: 455
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TITLE: Tris(organotin)tungstogermanate, a Sandwich Organometallic Derivative of a Keggin-Type Polyoxometalate: Synthesis and DFT Study  Full Text
AUTHORS: Huizhang Z Liu; Nuno A G Bandeira; Vitor Felix ; Maria Jose Calhorda ;
PUBLISHED: 2013, SOURCE: EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, VOLUME: 2013, ISSUE: 10-11
INDEXED IN: Scopus WOS CrossRef: 10
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TITLE: Electronic structure and properties of camphorimine Cu(I) coordination polymers  Full Text
AUTHORS: Tiago A Fernandes ; Fernanda F N N Carvalho ; Adelino M Galvao; Nuno A G Bandeira; Maria Jose Calhorda ; Ana M B Botelho do Rego ;
PUBLISHED: 2012, SOURCE: JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY, VOLUME: 50, ISSUE: 6
INDEXED IN: Scopus WOS CrossRef: 6
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TITLE: Electronic Structure of Ytterbium Bis-indenyl and -cyclopentadienyl alpha-Diimine Complexes: A DFT and MS-CASPT2 Investigation  Full Text
AUTHORS: Nuno A G Bandeira; Chantal Daniel; Alexander Trifonov; Maria Jose Calhorda ;
PUBLISHED: 2012, SOURCE: ORGANOMETALLICS, VOLUME: 31, ISSUE: 13
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