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Dalton Transactions, ISSN 1477-9226, 2019, Volume 48, Issue 13, pp. 4203 - 4210
In an effort to isolate the chalcogen-rich niobium analogue of [(Cp*Ta)(3)(-S)(3)((3)-S)(3)BH], the room temperature reaction of [Cp*NbCl4] (Cp* = (5)-C5Me5)... 
BOROHYDRIDES | CP-ASTERISK | MOLYBDENUM | COMPLEXES | REACTIVITY | CHEMISTRY | CUBANE | SULFUR | LIGAND | SULFIDE | CHEMISTRY, INORGANIC & NUCLEAR
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 03/2018, Volume 24, Issue 14, pp. 3590 - 3598
The viability of noble gas axled boron nanowheels NgnM©B10− (Ng=Ar–Rn; M=Nb, Ta; n=1, 2) is explored by ab initio computations. In the resulting Ng2–M... 
noble gases | cluster compounds | ab initio calculations | boron | transition metals | Binding | Radon | Enthalpy | Electrostatic properties | Rare gases | Niobium | Shafts (machine elements) | Boron | Tantalum | Clusters | Chemical bonds | Viability | Nanorods
Journal Article
Chemistry - A European Journal, ISSN 0947-6539, 03/2018, Volume 24, Issue 14, pp. 3590 - 3598
The viability of noble gas axled boron nanowheels Ng(n)M (c) B-10(-) (Ng=Ar-Rn; M=Nb, Ta; n=1, 2) is explored by ab initio computations. In the resulting... 
noble gases | cluster compounds | ab initio calculations | boron | transition metals | DYNAMICAL BEHAVIOR | METAL-SALENS | NONCOVALENT INTERACTIONS | BOND ORBITAL ANALYSIS | CHEMISTRY, MULTIDISCIPLINARY | BINDING ABILITY | ORDER REGULAR APPROXIMATION | HIGHEST COORDINATION-NUMBER | DENSITY-FUNCTIONAL THEORY | ELECTRONIC-STRUCTURE | NATURAL ORBITALS
Journal Article
Organometallics, ISSN 0276-7333, 12/2015, Volume 34, Issue 23, pp. 5509 - 5512
A new base-free entry to metal–aNHC compounds from metal–metal bonded bimetallic precursors and imidazolium salts is reported. Regioselective metalation... 
MILD | PALLADIUM(II) COMPLEXES | N-HETEROCYCLIC CARBENE | AZOLIUM SALTS | LIGANDS | PINCER | CHEMISTRY, ORGANIC | REMOTE | C-H ACTIVATION | BINDING | IMIDAZOLIUM SALTS | CHEMISTRY, INORGANIC & NUCLEAR
Journal Article
Corrosion Science, ISSN 0010-938X, 07/2017, Volume 123, pp. 256 - 266
Four new 2-(substituted phenyl) benzimidazole derivatives have been synthesized and their inhibiting action on the corrosion of mild steel in 1 M HCl is... 
B. EIS | A. Mild steel | C. Acid corrosion | Mild steel | Acid corrosion | MECHANISM | MATERIALS SCIENCE, MULTIDISCIPLINARY | METALLURGY & METALLURGICAL ENGINEERING | HYDROCHLORIC-ACID MEDIUM | IRON | CARBON-STEEL | ADSORPTION | EIS | DENSITY | DFT | SCHIFF-BASE | IMIDAZOLE | EXTRACT | Corrosion | Steel | Mechanical engineering | Tribology
Journal Article
Dalton Transactions, ISSN 1477-9226, 07/2011, Volume 40, Issue 28, pp. 7375 - 7384
Three types of atropisomeric unsymmetrical diimine complexes, tetrahedral (L-R(phi))MX2 (M = Zn, Cd; X = Cl, Br; R = Me, CMe3, OH, OMe, Cl; 1a-k, type-I),... 
MOLECULAR CALCULATIONS | EXCITATION-ENERGIES | CONJUGATED POLYMERS | FLUORESCENCE | EFFECTIVE CORE POTENTIALS | CONTAINING LIGANDS | COMPLEXES | ZN(II) | LUMINESCENT ZINC(II) | DENSITY-FUNCTIONAL THEORY | CHEMISTRY, INORGANIC & NUCLEAR
Journal Article
Chemical science, ISSN 2041-6520, 02/2018, Volume 9, Issue 7, pp. 1976 - 1981
Among the series of stable -borate dianions, [B H ] , the X-ray crystallographic structure of [B H ] was determined only in 2011. To explore its chemistry and... 
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 05/2017, Volume 121, Issue 18, pp. 3526 - 3539
Structures, bonding, and stability of half-sandwich complexes with general formula, NgMCp+ (Ng = He–Rn, M = Be–Ba, Cp = η5-C5H5) are analyzed through ab initio... 
Molecular dynamics | Chemical bonds | Usage | Chemical properties | Gases, Rare | Analysis
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 04/2017, Volume 121, Issue 15, pp. 2971 - 2979
Strong binding of carbon monoxide (CO) and dinitrogen (N2) by MB12 – (M = Co, Rh, Ir) clusters results in a spinning umbrella-like structure. For OCMB12 – and... 
DYNAMICAL BEHAVIOR | TRANSITION-METAL CARBONYLS | NITROGEN-FIXATION | B-19(-) | APPROXIMATION | SPECTROSCOPY | BORON CLUSTERS | AB-INITIO | COMPLEXES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | PLANAR
Journal Article
Chemical Science, ISSN 2041-6520, 02/2018, Volume 9, Issue 7, pp. 1976 - 1981
Among the series of stable closo-borate dianions, [BnHn](2-), the X-ray crystallographic structure of [B7H7](2-) was determined only in 2011. To explore its... 
MOLECULAR-STRUCTURE | CRYSTAL-STRUCTURE | B12H12-2 ION | COMPLEXES | CHEMISTRY | OCTAHYDROTRIBORATE | CLUSTER | METALLABORANES | CHEMISTRY, MULTIDISCIPLINARY | BORANE ANIONS | INDEPENDENT CHEMICAL-SHIFTS | Zirconium | Electrostatic bonding | Hafnium | Chemical bonds | Bonding strength | Stability analysis | Coordination compounds | Crystallography | Crystal structure | Covalent bonds
Journal Article
New Journal of Chemistry, ISSN 1144-0546, 2017, Volume 41, Issue 2, pp. 692 - 701
We report controlled synthesis of CuInS2 in wurtzite and zinc blende phases by solution based thermal decomposition of dual precursors [In(acda)3] (acda =... 
Journal Article
Inorganic Chemistry, ISSN 0020-1669, 06/2015, Volume 54, Issue 11, pp. 5257 - 5265
Reactions of M­(CO)6 (M = Mo, Cr) and 2 mol of 2,4-di-tert-butyl-6-(pyridin-2-ylazo)-phenol ligand (HL) in air yielded [MoVIO2(L1¯)2], 1, and... 
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 2015, Volume 17, Issue 8, pp. 5679 - 5690
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 02/2015, Volume 17, Issue 8, pp. 5679 - 5690
Corrosion inhibition performance of 2-(2-hydroxybenzylideneamino)phenol (L(1)), 2-(5-chloro-2-hydroxybenzylideneamino)phenol (L(2)) and... 
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 2016, Volume 18, Issue 27, pp. 17898 - 17911
In order to evaluate the effect of the functional group present in the ligand backbone towards corrosion inhibition performances, three Schiff-base molecules... 
ATOMS LI | DYNAMICS SIMULATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | FORCE-FIELD | CARBON-STEEL | DENSITY-FUNCTIONAL THEORY | ADSORPTION | GAUSSIAN-BASIS SETS | ELECTRONIC-STRUCTURE | ACID-SOLUTION | LIVING CELLS
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 07/2016, Volume 18, Issue 27, pp. 17898 - 17911
In order to evaluate the effect of the functional group present in the ligand backbone towards corrosion inhibition performances, three Schiff-base molecules... 
Corrosion inhibitors | Corrosion | Mathematical analysis | Surface chemistry | Carbon steels | Corrosion tests | Molecular orbitals | Inhibition
Journal Article