[PDF] Top 20 A theoretical study of the electronic structure of transition metal complexes
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A theoretical study of the electronic structure of transition metal complexes
... A theoretical study of the electronic structure of transition-metal complexes Abstract Among the many interesting chemical and physical properties of ... See full document
128
Electronic structure and reactivity of transition metal complexes incorporating pro-radical bis-phenoxide ligands
... Abstract Transition metal complexes with pro-radical ligands have received considerable research attention due to their interesting electronic structures, photophysical properties, and ... See full document
216
Electronic structure, surface reactivity and site analysis of transition metal complexes and metalloproteins by X ray photoelectron spectroscopy
... Physical Abrasion on Soft Coarse Metal Substrates 43. Compression on Metal Grids.[r] ... See full document
351
Structural and electronic properties of alumaphosphinine complexes with metal ions: A theoretical study
... alumaphosphinine-Ca complexes are more away from zero than those for the alumaphosphinine-Li, alumaphosphinine-Na, and alumaphosphinine-K complexes; thus, Be 2+ , Mg 2+ , and Ca 2+ -complexes are ... See full document
8
Toward Accurate Theoretical Thermochemistry of First Row Transition Metal Complexes
... for transition metal ...for transition metal compounds and greater errors are expected with theory due to a number of factors including increased valence electron space, stronger relativistic ... See full document
16
Theoretical Studies on the Electronic Properties and the Chemical Bonding. of Transition Metal Complexes using DFT and Ligand Field Theory
... dimer transition metal ...dinuclear complexes are illustrated for the interpretation of exchange coupling in the bis-µ- hydroxo-bridged dimer of Cu(II) and to the description of the quadruple ... See full document
28
Transition Metal Complexes of Dibenzyl Tetraazamacrocycles
... stable transition metal ...these complexes even further, providing enough stability to use the resulting compounds in applications as diverse and demanding as aqueous, green oxidation catalysis all ... See full document
19
ELECTRONIC STRUCTURES OF SOME METAL AND NON-METAL CLUSTERS AND METAL-LIGAND COMPLEXES: A DFT STUDY
... this structure to bring it into a cap like structure is carried out then they become local ...planar structure to a W-shaped structure red shifts the absorption band to around 600 ...DFT ... See full document
6
Synthesis, biological activity and theoretical study of some isatin, and their metal complexes
... its metal complexes have been prepared and structurally characterized by elemental analyses and FT-IR, electronic and 1 H-NMR, 13 C-NMR ...The theoretical wavenumbers, IR intensities, 1 H- ... See full document
12
Computational studies of the electronic structure of transition metal and p-block compounds
... experimental facts is th a t F 2 has a weaker bond th an CI 2 , and hence one way to determine which functional is best suited for this study is to look at the calculated difference in energy between F 2 and CI 2 ... See full document
163
Electronic structure of high-k transition metal oxides and their silicate and aluminate alloys
... VB transition metal 共 TM 兲 oxides and 共 ii 兲 first row 共 RE 兲 oxides with SiO 2 and Al 2 O 3 have been proposed as alternative gate dielectrics for advanced Si ...this theoretical ap- proach include ... See full document
9
Electronic Structure and Conformational Conversion of Calix[4]arene Complexes with Alkali Metal Ions
... the electronic structure of C4A complexes in ...to complexes of macromolecules in the gas phase. The structure of cold inclusion complexes of C4A with neutral guests was ... See full document
37
Molecular and electronic structure of terminal and alkali metal capped uranium(V) nitride complexes
... the electronic structure of actinide complexes is intrinsically challenging because inter-electronic repulsion, crystal field, and spin–orbit coupling effects can be of similar ...of ... See full document
14
X-Ray Diffraction Study of Transition Metal Complexes of Heterocyclic Schiff Bases
... the metal complexes under investigation shows good intense peaks indicating high ...Crystal Structure of P type lattice for Nickel complex of ligand L 1 , L 4 , L 5 and Cobalt complex of ligand L 2 ... See full document
11
Electronic and lattice structure of the strongly correlated transition metal oxides Fe3O4 and LaSr2Mn2O7 : a hybrid density functional study
... and theoretical lite ratu re which has built up th ro u g h o u t alm ost 70 years of m agnetite ...e electronic stru c tu re and lattice dynam ics of th e low -tem perature m onoclinic cell and h ig h -tem ... See full document
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Synthesis and Spectral Studies of Some Transition metal Complexes
... & Transition Metal. metallic complexes with theoretical and practical applications of different type 8 ...of transition metal ions 10-13 in the study of acid base ... See full document
6
Structure and bonding in transition metal complexes
... The asymmetric unit in this structure consists of a single technetium atom and four chlorine atoms. All atoms were finally located on sets of eightfold general pos[r] ... See full document
194
A thermodynamic study of transition metal oxime complexes
... The enthalpy and entropy changes for the formation of the nickel(II) and copper(II) bis complexes of 2-amino-2-methylbutan-3-one oxime and its N-methyl, N-ethyl and[r] ... See full document
270
A study of labile ligands in transition metal complexes
... This theory also agrees uith the earlier observation that the heavier transition metals form more stable o-complexes. This is so because the double bonding and ligand field splitting arc[r] ... See full document
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