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Computational and theoretical chemistry, ISSN 2210-271X, 2011, Volume 967, Issue 1, pp. 140 - 146
...–Bi bond distances show that the trans effect of halides is relatively greater than the effects of halides bonded to the Bi atom... 
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
Polyhedron, ISSN 0277-5387, 04/2012, Volume 37, Issue 1, pp. 85 - 93
.... The nature of MoE bonds investigated by means of natural bond orbital (NBO) analysis and energy decomposition analysis. The [X(PMe3)4Mo]−→[EMes]+ metal–ligand π... 
Triple bond | DFT | Structure | Bonding | Molybdenum | Ylidyne | M-GA BONDS | CP-ASTERISK | TRANSITION-METAL-COMPLEXES | MAIN-GROUP | GERMYLIDYNE COMPLEXES | CRYSTALLOGRAPHY | CHEMISTRY, INORGANIC & NUCLEAR | DIHALOGALLYL COMPLEXES | ENERGY DECOMPOSITION ANALYSIS | CHEMICAL-BOND | ORDER REGULAR APPROXIMATION | GERMYLYNE COMPLEXES | Chemical properties | Analysis | Bonds | Investigations
Journal Article
Computational and theoretical chemistry, ISSN 2210-271X, 01/2014, Volume 1028, pp. 1 - 6
...–NS bond dissociation energy.•Dispersion interactions depend on the spin states of the interacting fragments.•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
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, ISSN 1089-5639, 11/2012, Volume 116, Issue 47, pp. 11753 - 11762
Journal Article
Journal of organometallic chemistry, ISSN 0022-328X, 07/2012, Volume 710, pp. 6 - 11
...)] is in excellent agreement with structurally characterized iridium complex. Mayer bond order of the optimized structures shows that the M–Ga... 
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
Journal of organometallic chemistry, ISSN 0022-328X, 2011, Volume 696, Issue 22, pp. 3536 - 3542
... [(η 5-C 5H 5)(CO) 2Fe(Ga(Mes ∗)Cl)], [(η 5-C 5Me 5)(CO) 2Fe(Ga(Mes ∗)Cl)] and [(η 5-C 5Me 5)(CO) 2Fe(Ga(Mes)I)] (Mes = C 6H 2Me 3-2,4,6; Mes ∗ = C 6H 2 tBu 3-2,4,6). The M–Ga bond distances as well as Mayer bond order of the M... 
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
Polyhedron, ISSN 0277-5387, 08/2012, Volume 43, Issue 1, pp. 131 - 139
.... Two-coordinate alylene systems have yet to be synthetically realized, and lower M–Al bond orders and higher partial positive charges at the group 13 centre... 
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
Computational and theoretical chemistry, ISSN 2210-271X, 2011, Volume 973, Issue 1, pp. 13 - 19
.... Thus, in these complexes the GaX 2 ligand behaves predominantly as an σ-donor. [Display omitted] ► The M–Ga bonds in the studied complexes are nearly M... 
Dimethylgallyl | Structure | Bonding | Molybdenum | Tungsten | DFT calculations | COORDINATION CHEMISTRY | ENERGY | M-GA BONDS | REACTIVITY | CHEMISTRY, PHYSICAL | OXIDATIVE ADDITION | ORDER REGULAR APPROXIMATION | COVALENT RADII | HETEROCYCLIC CARBENE ANALOG | GALLYL COMPLEXES | TRANSITION-METAL-BORYL
Journal Article
含能材料, ISSN 1006-9941, 2009, Volume 17, Issue 3, pp. 260 - 264
TJ55%O64; 采用DFT-B3LYP/SDD方法系统研究了(Et2MN3)n(n=1-3,M=Al, Ga) 体系.二聚体(Et2MN3)2和三聚体(Et2MN3)3(M=Al, Ga)分别拥有四元环M2N2和六元环M3N3结构.与单体相比,二聚体(Et2MN3)2和三聚体(Et2MN3)3(M=Al,... 
Journal Article
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