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dihalogallyl complexes (11) 11
bonding (9) 9
m-ga bonds (9) 9
order regular approximation (8) 8
structure (7) 7
chemistry, inorganic & nuclear (6) 6
bonds (4) 4
chemistry, organic (4) 4
chemistry, physical (4) 4
dft (4) 4
energy decomposition analysis (4) 4
heterocyclic carbene analog (4) 4
oxidative addition (4) 4
reactivity (4) 4
analysis (3) 3
chemical-bond (3) 3
coordination chemistry (3) 3
eda (3) 3
energy (3) 3
gallyl complexes (3) 3
transition-metal-complexes (3) 3
chemical properties (2) 2
chemistry (2) 2
cobalt (2) 2
corticosteroids (2) 2
covalent radii (2) 2
cp-asterisk (2) 2
crystallography (2) 2
gallyl (2) 2
germylidyne complexes (2) 2
germylyne complexes (2) 2
main-group (2) 2
molybdenum (2) 2
physics, atomic, molecular & chemical (2) 2
regular 2-component hamiltonians (2) 2
transition-metal (2) 2
transition-state method (2) 2
ylidyne (2) 2
2-coordinate gallium (1) 1
a: molecular structure, quantum chemistry, general theory (1) 1
approximation (1) 1
bismuth (1) 1
bonding analysis (1) 1
bonding strength (1) 1
boryl (1) 1
borylene:alylene (1) 1
c-h (1) 1
calculation (1) 1
chemical bonds (1) 1
chemistry, multidisciplinary (1) 1
coordination (1) 1
copper (1) 1
crystal-structures (1) 1
density functionals (1) 1
dihalobishmuth (1) 1
dimethylgallyl (1) 1
dimethylgallyl complexes (1) 1
dispersion (1) 1
donor-acceptor complexes (1) 1
electronic-structures (1) 1
electrostatic interactions (1) 1
ferric compounds - chemistry (1) 1
forming reactions (1) 1
generalized gradient approximation (1) 1
gold (1) 1
halide abstraction (1) 1
iminoboryl complexes (1) 1
intermetalloid cluster (1) 1
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metal-no (1) 1
methyl groups (1) 1
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Journal of organometallic chemistry, ISSN 0022-328X, 04/2012, Volume 702, pp. 59 - 66
...–ylidyne complexes trans-[H(PMe3)4M≡ER] (M = Mo, W; E = Si, Ge, Sn, Pb; R = Mes, Xylyl) have been investigated using density functional theory at BP86/TZ2P/ZORA level... 
DFT | EDA | Bonding | Molybdenum | Tungsten | Ylidyne | M-GA BONDS | CP-ASTERISK | TRIPLE BONDS | MAIN-GROUP | GERMYLIDYNE COMPLEXES | CHEMISTRY, ORGANIC | CHEMISTRY, INORGANIC & NUCLEAR | DIHALOGALLYL COMPLEXES | ENERGY DECOMPOSITION ANALYSIS | CHEMICAL-BOND | ORDER REGULAR APPROXIMATION | GERMYLYNE COMPLEXES
Journal Article
Polyhedron, ISSN 0277-5387, 04/2012, Volume 37, Issue 1, pp. 85 - 93
Journal Article
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, ISSN 1089-5639, 11/2012, Volume 116, Issue 47, pp. 11753 - 11762
Quantum-chemical DFT calculations for the electronic, molecular structure and M–PNR2 bonding analyses of the experimentally known cationic electrophilic phosphinidene complexes [(η5-C5Me5)­(CO)2M­{PNiPr2... 
DIHALOGALLYL COMPLEXES | ENERGY DECOMPOSITION ANALYSIS | M-GA BONDS | CHEMICAL-BOND | TRANSITION-METAL-COMPLEXES | ORDER REGULAR APPROXIMATION | PHOSPHORUS ANALOGS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | TERMINAL-PHOSPHINIDENE | FORMING REACTIONS | C-H
Journal Article
Journal of organometallic chemistry, ISSN 0022-328X, 2012, Volume 701, pp. 75 - 79
Density Functional Theory calculations have been performed for the gallyl complexes [(NHC)M{Ga(N(Ph)C(H)) 2}] (NHC = :C(N(Ph)C(H)) 2; I M = Cu, II M = Ag, III M = Au... 
Silver | Gold | Structure | Gallyl | Copper | Bonding | COORDINATION CHEMISTRY | ENERGY | CHEMISTRY, ORGANIC | STRUCTURAL-CHARACTERIZATION | DIMETHYLGALLYL COMPLEXES | OXIDATIVE ADDITION | CHEMISTRY, INORGANIC & NUCLEAR | DIHALOGALLYL COMPLEXES | ORDER REGULAR APPROXIMATION | BONDING ANALYSIS | HETEROCYCLIC CARBENE ANALOG | TRANSITION-METAL | Bonds | Corticosteroids
Journal Article
Chemical communications (Cambridge, England), ISSN 1359-7345, 07/2020, Volume 56, Issue 58, pp. 8139 - 8142
The reaction between a two-coordinate Co(ii) diaryl complex and "GaI" affords 2,6-Pmp... 
DIHALOGALLYL COMPLEXES | INTERMETALLOID CLUSTER | HALIDE ABSTRACTION | MOLECULAR-MODELS | BONDS | CHEMISTRY | REACTIVITY | COORDINATION | CHEMISTRY, MULTIDISCIPLINARY | SOLID-STATE | 2-COORDINATE GALLIUM
Journal Article
Journal of organometallic chemistry, ISSN 0022-328X, 2011, Volume 696, Issue 22, pp. 3536 - 3542
Density Functional Theory calculations have been performed for the halophenylgallyl complexes of iron, ruthenium and osmium [(η 5-C 5H 5)(CO) 2M(Ga(X)Ph)] (M = Fe, Ru, Os; X = Cl, Br... 
Calculation | DFT | EDA | Structure | Gallyl | Bonding | COORDINATION CHEMISTRY | M-GA BONDS | TRANSITION-METAL-COMPLEXES | REACTIVITY | CHEMISTRY, ORGANIC | OXIDATIVE ADDITION | CHEMISTRY, INORGANIC & NUCLEAR | DIHALOGALLYL COMPLEXES | ORDER REGULAR APPROXIMATION | HETEROCYCLIC CARBENE ANALOG | GALLYL COMPLEXES | BORYL
Journal Article
Computational and theoretical chemistry, ISSN 2210-271X, 2011, Volume 967, Issue 1, pp. 140 - 146
Geometry, electronic structure and bonding energy analysis of the terminal neutral dihalobismuth complexes of nickel, palladium and platinum trans-[X(PMe 3) 2M(BiX 2)] (M = Ni, Pd, Pt; X = Cl, Br... 
Nickel | Palladium | Dihalobishmuth | Structure | Platinum | Bonding | M-GA BONDS | APPROXIMATION | MAIN GROUP | TRANSITION-STATE METHOD | CHEMISTRY, PHYSICAL | CRYSTAL-STRUCTURES | BISMUTH | DIHALOGALLYL COMPLEXES | REGULAR 2-COMPONENT HAMILTONIANS | COVALENT RADII | SIGMA-BONDS
Journal Article
Journal of organometallic chemistry, ISSN 0022-328X, 07/2012, Volume 710, pp. 6 - 11
Electronic, molecular structures and bonding analysis of the terminal neutral dimethylgallyl complexes of cobalt, rhodium and iridium [Me(PMe3)2(Me3GaCl)M(GaMe2)] (M = Co, Rh, Ir) and [Me(PMe3)2ClIr(GaMe2... 
Iridium | Dimethylgallyl | Rhodium | Structure | Bonding | Cobalt | COORDINATION CHEMISTRY | ENERGY | M-GA BONDS | REACTIVITY | CHEMISTRY, ORGANIC | OXIDATIVE ADDITION | CHEMISTRY, INORGANIC & NUCLEAR | DIHALOGALLYL COMPLEXES | ORDER REGULAR APPROXIMATION | HETEROCYCLIC CARBENE ANALOG | TRANSITION-METAL | GALLYL COMPLEXES | Corticosteroids | Analysis | Bonds
Journal Article
Computational and theoretical chemistry, ISSN 2210-271X, 01/2014, Volume 1028, pp. 1 - 6
[Display omitted] •Four-coordinated vanadium–thionitrosyl complex features V–NS multiple bonding.•Dispersion interaction contributes significantly to the V... 
Thionitrosyl | DFT | Bonding | Dispersion | Vanadium | M-GA BONDS | CHEMISTRY, PHYSICAL | GENERALIZED GRADIENT APPROXIMATION | DIHALOGALLYL COMPLEXES | ELECTRONIC-STRUCTURES | METAL-NO | OSMIUM(VI) NITRIDES | NITROSYL | NITRIDO COMPLEXES | ORDER REGULAR APPROXIMATION | CHEMISTRY
Journal Article
Polyhedron, ISSN 0277-5387, 08/2012, Volume 43, Issue 1, pp. 131 - 139
Electronic, molecular structure and bonding analyses of the group 8 borylene and alylene complexes [(η5-C5H5)M(PMe3)2(EX)]+ and [(η5-C5H5)M(CO)2(AlX)]+ (E=B, Al; M=Fe, Ru, Os; X=Mes, NMe2... 
NBO | Borylene:Alylene | EDA | Structure | Bonding | M-GA BONDS | TRANSITION-STATE METHOD | CRYSTALLOGRAPHY | CHEMISTRY, INORGANIC & NUCLEAR | DIHALOGALLYL COMPLEXES | ENERGY DECOMPOSITION ANALYSIS | REGULAR 2-COMPONENT HAMILTONIANS | SPONTANEOUS HALIDE EJECTION | SUBSTITUENT-FREE GALLIUM | LIGANDS ER E | DONOR-ACCEPTOR COMPLEXES | IMINOBORYL COMPLEXES
Journal Article
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