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Title of Journal: Struct Chem

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Abbravation: Structural Chemistry

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Springer US

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DOI

10.1002/mds.21115

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ISSN

1572-9001

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Preface

Authors: Ewa Brocławik Dorota RutkowskaZbik Renata TokarzSobieraj
Publish Date: 2012/07/05
Volume: 23, Issue: 5, Pages: 1291-1292
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Abstract

Professor Małgorzata Witko was born in Cracow Poland She graduated with MSc in Chemistry from the Jagiellonian University in Cracow 1973 and with PhD in Theoretical and Physical Chemistry from the Institute of Physical Chemistry Polish Academy of Sciences in Warsaw 1978 Her entire professional career was connected with the Institute of Catalysis and Surface Chemistry ICSC now the Jerzy Haber Institute of Catalysis and Surface Chemistry Polish Academy of Sciences Professor Małgorzata Witko was awarded the degree of DSc in Theoretical and Physical Chemistry from the Jagiellonian University 1991 and in 1997 she culminated with the title of Professor Since 2002 she has been the Director of The Jerzy Haber Institute of Catalysis and Surface Chemistry Polish Academy of Sciences In 2007 she has been elected to be a member of the Polish Academy of SciencesThroughout her scientific career Professor Małgorzata Witko has published over 130 papers among which one finds the first scientific paper in which catalytic phenomena are approached by theoretical methodology She is an author of two sections in handbooks “Theoretical Aspects of Molecular Catalysis” in Education in Advanced Chemistry 1995 and “Theory of Physical and Chemical Behavior of Transition Metal Oxides Vanadium and Molybdenum Oxides” in series entitled “The Chemical Physics of Solid Surfaces” 2001 In the recognition of her expertise in this field she was invited to serve as Guest Editor by many scientific journals Journal of Molecular Catalysis 54 3/1989 82 2–3/1993 166/2001 Topics in Catalysis 11–12/2000 169/2011 Applied Surface Science 2523/2005 “Metal–Ligand Interactions” NATO Science Series II Mathematics Physics and Chemistry V 116 2003 She spent her postdoc in the Université ParisSud CNRS Orsay 1980/81 She was awarded Alexander von Humboldt Fellow and she stayed 15 years in 1992–1993 and 4 months in 1998 in FritzHaber Institute MPG Berlin Professor Witko was also invited as a Visiting Professor by numerous universities Université ParisSud CNRS Orsay France in 1977 1980 1981 Freie Universität Berlin in 1981 1982 1983 1984 1985 1986 The National Research Council Italy in 1989 She established wide national and international collaboration with many respected scientific institutions FritzHaberInstitut der MPG Berlin Germany since 1992 Faculty of Chemistry Jagiellonian University Krakow Poland since 1998 Laboratory of Microbial Biochemistry Fachbereich Biologie PhilippsUniversität Marburg Germany since 2003 Institut für Materialphysik University of Wien Austria since 2002 Laboratoire de Chimie Théorique Universite Pierre et Marie Curie in Paris France since 2003Entering the Institute of Catalysis with theoretical background she quickly developed strong interests in the field of heterogeneous homogeneous and enzymatic catalysis In heterogeneous catalysis her research has been focused on the electronic structure of transition metal oxides mostly vanadium and molybdenumbased ones including binary V2O5 VO2 V2O3 MoO3 MoO2 mixed V–O–P Mg–O–V Mo–O–Co Mo–O–Ni Mo–O–Bi alkalidoped systems as well as supported on oxidetype materials SiO2 Al2O3 and TiO2 The main achievements in Professor Witko’s original field are explanation of the differences in thermodynamic stability and catalytic activity of various lowindex crystallographic planes exposed during a catalytic reaction investigation of structurally different oxygen and metal centers description of surface vacation formation and reoxidation processes explanation of the role of oxygen vacancies as active centers investigation of the hydrogen behavior on oxide surfaces migration formation of surface hydroxyl and water species formation of bronzesMałgorzata Witko is recognized not only as a scientist but also as a tutor of young researchers Based on her own alumni she established a strong group specializing in molecular modeling of catalytic processes and opening new areas of expertise The research in the field of homogeneous catalysis has covered mainly theoretical modeling of catalytic activity of porphyrins The main achievements here are the description of binding and activation of molecular oxygen leading to the formation of manganese oxoporphyrin elucidation of the mechanism of epoxidation of cyclohexene by manganese porphyrin modeling of oxidation of cyclohexene to cyclohexene alcohol over manganese porphyrin The studies in enzymatic catalysis have been focused on ethylbenzene dehydrogenase EBDH the enzyme catalyzing stereospecific hydroxylation of ethylbenzene to S1phenylethanol The main achievements in that area are the detailed description of molecular mechanism of ethylbenzene oxidation to +S1phenylethanol and development of the theoretical multiple regression model which relates experimentally measured kinetic constants to the theoretical and experimental electronic and steric parametersMałgorzata Witko is a member of many scientific societies and professional organizations such as the Polish Chemical Society since 1973 for which she served as a member of executive board of Theory Section from 2001 to 2004 later as a member of executive board of Krakow Section in 2006–2008 and finally as a member of Presidium of the Polish Chemical Society from 2010 until now Polish Catalysis Club since 1994 the European Federation of Catalysis Societies polish delegate and Vice President in 2005–2009 Committee of Chemistry of the Polish Academy of Sciences member of panel V of the European Research Council She is a member of the scientific boards of two institutions the Institute of Physical Chemistry and the Institute of Nuclear Physics Polish Academy of SciencesProfessor Małgorzata Witko was the main organizer of numerous international conferences among which International Conference “Catalysis for Society” 2008 International Symposium “Catalysis on OxideType Materials Theory and Experiment Share Needs and Capabilities” 2005 3rd EFCATS School on Catalysis 2004 International Conference on Theoretical Aspects of Catalysis 1992 2002 International Symposium “Catalysis in XXI Century From Quantum Chemistry to Industry” 2000 were the most significant Her expertise in theory and catalysis has been further recognized by frequent invitations to Organizing Committees and Advisory Boards of congresses conferences and symposia She has given more than 100 invited and plenary lectures contributing to understanding problems of theoretical chemistry and catalysis During last 3 years she actively participated in 27th International Conference “Neutron Scattering Spectroscopy and Related Problems” Poland 2011 “Marie SklodowskaCurie Symposium on the Foundation of Physical Chemistry” Poland 2011 13 International Conference of Theoretical Aspects of Catalysis Japan 2010 iCATs Innovation in Catalysis for Sustainable Production Energy Towards a roadmap for catalysis Italy 2010 The Seventh International Symposium Effect of Surface Heterogeneity in Adsorption and Catalysis Poland 2009 Conference on Nanocatalysis Fundamentals Applications China 2008 to name but a fewProfessor Witko is the holder of the Knight’s Cross of the Order of Polonia Restituta 2011 She is well known as a woman scientist who manages to successfully join professional and private life with her great passion for good music literature and travellingThis article is published under an open access license Please check the Copyright Information section for details of this license and what reuse is permitted If your intended use exceeds what is permitted by the license or if you are unable to locate the licence and reuse information please contact the Rights and Permissions team


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  11. An examination of the vaporization enthalpies and vapor pressures of pyrazine, pyrimidine, pyridazine, and 1,3,5-triazine
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