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Investigations of the electronic-molecular structure of bio-inorganic systems using modern methods of quantum chemistry

Inorganica Chimica Acta, 2022
A few bio-inorganic systems have been studied by means of modern quantum chemistry (QM) methods, such as the Density Functional Theory (DFT) in connection with a large set of basis functions. At this level, DFT has proven to give reliable (semi-quantitative) description of several properties of transition metals complexes which are either relevant part
Arrigoni F.   +8 more
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Critical comments on Institute for Scientific Information impact factors: a sample of inorganic molecular chemistry journals

Journal of Information Science, 1999
In this paper, empirical data are analysed to show some of the problems involved in the use of the Institute for Scientific Information’s (ISI) impact factors (IFs). Based on earlier work of the authors, and elaborating on some new topics, the paper shows that IFs as defined by ISI have shortcomings which make them inappropriate for the purposes for ...
Thed N. van Leeuwen   +2 more
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Lewis Acid-Base, Molecular Modeling, and Isotopic Labeling in a Sophomore Inorganic Chemistry Laboratory

Journal of Chemical Education, 2004
Lewis acid–base theory is taught in most inorganic courses. These concepts are typically studied in the laboratory, usually by the formation of an adduct. The reaction of t-BuNH3Cl with NaBH4 is a standard laboratory that allows students to prepare an adduct by reacting a Lewis acid with a Lewis base.
Chip Nataro   +5 more
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The Molecular Orbital-Valence Bond Theory of Inorganic Chemistry

1983
The purpose of this paper is to rephrase the fundamental concepts of inorganic chemistry in the language of MOVB theory1 as a prelude to a reexamination of the electronic structure of inorganic molecules. For illustrative purposes we reformulate the concepts of the coordinate bond,2 the Dewar-Chatt-Duncanson (DCD) model,3 and the concept of high and ...
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Molecular Composites of the MPS3 Layered Inorganic Polymers: Chemistry, Magnetic and Dielectric Properties

1992
Developments in the field of intercalation chemistry of the layered MPS3 (M= Mn, Fe) host lattices lead to materials with unusual magnetic properties. Various organic and organometallic intercalates have been synthesized, where the electrical charge of the guest cations is counterbalanced by the removal of an equivalent amount of intralayer M2+ cations.
R. Clement   +6 more
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The aqueous chemistry of tellurium: critically-selected equilibrium constants for the low-molecular-weight inorganic species

Environmental Chemistry, 2019
Environmental context Equilibrium constants are required in many scientific disciplines such as biology, medicine, engineering, and in particular chemistry. Lack of reliable equilibrium constants for tellurium has restricted our understanding of its speciation and behaviour in the environment.
Filella, Montserrat, May, Peter M.
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ChemInform Abstract: Surface Chemistry for Molecular Layer Deposition of Organic and Hybrid Organic—Inorganic Polymers

ChemInform, 2009
AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
Steven M. George   +2 more
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Development of an Interdisciplinary Experimental Series for the Laboratory Courses of Cell and Molecular Biology and Advance Inorganic Chemistry

Journal of Chemical Education, 2011
An interdisciplinary approach to education has become more important in the development of science and technology, which requires universities to have graduates with broad knowledge and skills and to apply these skills in solving real-world problems. An interdisciplinary experimental series has been developed for the laboratories in cell and molecular ...
Montserrat Rabago Smith   +4 more
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Visual vs Conceptual Understanding: Addressing Misconceptions Through Molecular Modeling in Inorganic Chemistry

Edumania-An International Multidisciplinary Journal
Abstract Understanding inorganic chemistry presents a dual challenge: mastering both abstract concepts and their visual-spatial representations. Students often struggle with misconceptions rooted in either or both of these areas. This study explores the effectiveness of molecular modeling tools in improving both visual and conceptual understanding in ...
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