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carbenes (5) 5
chemistry, inorganic & nuclear (5) 5
activation (4) 4
adducts (4) 4
insertion (4) 4
mechanism (4) 4
mediated ring-expansion (4) 4
n-heterocyclic carbenes (4) 4
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chemistry, multidisciplinary (3) 3
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Organometallics, ISSN 0276-7333, 11/2013, Volume 32, Issue 21, pp. 6209 - 6217
A computational investigation has been carried out on the mechanism and energetics of the experimentally observed insertion/ring expansion of N-heterocyclic... 
Journal Article
The Journal of Physical Chemistry C, ISSN 1932-7447, 12/2013, Volume 117, Issue 49, pp. 26106 - 26118
Detection of pollutant gases, such as H2S, is of high importance for health reasons. We examine the effect of ZnO nanostructure morphology on the sensing... 
MOLECULAR-DYNAMICS | CHEMISORPTION | MECHANISM | MATERIALS SCIENCE, MULTIDISCIPLINARY | ZNO(10OVER-BAR0) SURFACE | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | TOTAL-ENERGY CALCULATIONS | NANORODS | HYDROGEN-SULFIDE | DENSITY | NANOTUBES | WAVE BASIS-SET
Journal Article
Chemistry – An Asian Journal, ISSN 1861-4728, 07/2017, Volume 12, Issue 13, pp. 1499 - 1508
The endocyclic ring expansion of N‐heterocyclic carbene (NHC) rings by transition metal (group 12) and main group (group 13–16) element hydrides has been... 
computational chemistry | heterocycles | ring expansion | hydride insertion | N-heterocyclic carbenes | ROOM-TEMPERATURE | DIHYDRIDE | ACTIVATION | COMPLEXES | MEDIATED RING-EXPANSION | ADDUCTS | BOND-CLEAVAGE | CHEMISTRY, MULTIDISCIPLINARY | ZINC | ELEMENTS | Thermodynamics | Investigations
Journal Article
Chemistry – An Asian Journal, ISSN 1861-4728, 12/2018, Volume 13, Issue 23, pp. 3745 - 3752
The endocyclic ring expansion of N‐heterocyclic carbene (NHC) rings containing one N atom and one P, N, C, O or S heteroatom has been investigated in a... 
reaction mechanisms | density functional calculations | DFT | hydride insertion | N-heterocyclic carbenes | MECHANISM | RING-EXPANSION | CORRELATION-ENERGY | ADDUCTS | BOND-CLEAVAGE | CHEMISTRY, MULTIDISCIPLINARY | ATOMS LI | LIGAND PROPERTIES | GAUSSIAN-BASIS SETS | CATALYSTS | ELECTRONIC-STRUCTURE | Thermodynamics | Heterocyclic compounds | Investigations
Journal Article
Dalton Transactions, ISSN 1477-9226, 02/2015, Volume 44, Issue 7, pp. 3318 - 3325
The effect of varying the N-heterocyclic carbene (NHC) ligand on ring expansion and endocyclic C-N activation of NHCs by silanes and boranes has been... 
Silanes | Barriers | Migration | Boranes | Activation | Hydrides | Carbenes | Carbon
Journal Article
Coordination Chemistry Reviews, ISSN 0010-8545, 08/2015, Volume 297-298, pp. 40 - 48
•Organometallic and coordination chemistry of Be since 2008.•Major synthetic and theoretical advances relevant to the synthetic chemist in Be chemistry... 
C-ligands | N-ligands | Organometallic | Coordination chemistry | Beryllium | P-ligands | OXIDATION | CRYSTAL-STRUCTURE | COMPLEXES | MEDIATED RING-EXPANSION | STRUCTURAL-CHARACTERIZATION | N-HETEROCYCLIC CARBENES | BOND-CLEAVAGE | CHEMISTRY, INORGANIC & NUCLEAR | LIGANDS | BETA-DIKETIMINATE | CARBODIPHOSPHORANES
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 10/2014, Volume 20, Issue 43, pp. 14132 - 14138
A computational study has been carried out to examine the feasibility of generating a simple monocyclic cyclopentadienyl cation that may be sufficiently stable... 
antiaromaticity | theoretical chemistry | carbocations | Carbocations | Antiaromaticity | Theoretical chemistry | GROUND-STATE TRIPLET | POLARIZABLE CONTINUUM MODEL | ANION | ION | CHEMISTRY, MULTIDISCIPLINARY | ATOMS LI | AROMATICITY | FREE BOROLES | PENTAMETHYLCYCLOPENTADIENYL CATION | GAUSSIAN-BASIS SETS | Ambient temperature | Computation | Placement | Strategy | Ground state | Feasibility | Cations | Derivatives
Journal Article
Dalton Transactions, ISSN 1477-9226, 8/2014, Volume 43, Issue 34, pp. 1282 - 12823
N-heterocyclic carbenes (NHCs) are generally considered to be extremely robust, ideal spectator ligands. However, in the past two years there have been several... 
Pathways | Insertion | Casts | Ligands | Activation | Spectators | Carbenes | Bonding
Journal Article
ISSN 1477-9226, 2/2015, Volume 44, Issue 7, pp. 3318 - 3325
The effect of varying the N-heterocyclic carbene (NHC) ligand on ring expansion and endocyclic C-N activation of NHCs by silanes and boranes has been... 
Journal Article
Dalton Transactions, ISSN 1477-9226, 09/2014, Volume 43, Issue 34, pp. 12820 - 12823
N-heterocyclic carbenes (NHCs) are generally considered to be extremely robust, ideal spectator ligands. However, in the past two years there have been several... 
MECHANISM | CHEMISTRY | MEDIATED RING-EXPANSION | ADDUCTS | CLEAVAGE | BORANE | CHEMISTRY, INORGANIC & NUCLEAR
Journal Article
Inorganic Chemistry, ISSN 0020-1669, 05/2015, Volume 54, Issue 10, pp. 4934 - 4939
We report a novel C-H to C-N bond metathesis at the 3-position of 1,2-diphenyltellurophene via oxidation of the Te(II) center to Te(IV) using the I(III)... 
Journal Article
Dalton Transactions, ISSN 1477-9226, 02/2015, Volume 44, Issue 7, pp. 3318 - 3325
The effect of varying the N-heterocyclic carbene (NHC) ligand on ring expansion and endocyclic C-N activation of NHCs by silanes and boranes has been... 
Journal Article
Dalton Transactions, ISSN 1477-9226, 08/2013, Volume 42, Issue 31, pp. 11035 - 11038
A theoretical study focusing on the ring expansion that occurs in the reaction of N-heterocyclic carbenes with silanes has been carried out. A detailed... 
ACTIVATION | N-HETEROCYCLIC CARBENES | BOND | CHEMISTRY, INORGANIC & NUCLEAR | Silanes | Transformations | Pathways | Carbenes | Focusing
Journal Article
Organometallics, ISSN 0276-7333, 03/2017, Volume 36, Issue 6, pp. 1173 - 1178
The β-diketiminato aluminum dihydrides, [HC­{(Me)­CNAr}2AlH2] [4: Ar = 2,6-di-isopropylphenyl (Dipp), 5: 2,4,6-trimethyl­phenyl (Mes)] react directly with... 
H BOND ACTIVATION | ROOM-TEMPERATURE | PD(II) COMPLEXES | INSERTION | METATHESIS CATALYSTS | C-C | CHEMISTRY, ORGANIC | RUTHENIUM | LIGAND | ARYL SUBSTITUENT | CLEAVAGE | CHEMISTRY, INORGANIC & NUCLEAR
Journal Article
ChemInform, ISSN 0931-7597, 12/2015, Volume 46, Issue 48, pp. no - no
Journal Article
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