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Journal of the American Chemical Society, ISSN 0002-7863, 07/2012, Volume 134, Issue 28, pp. 11749 - 11759
The unusual Y-shaped structure of the recently reported three-coordinate Pt complex Pt[NHC(Dip)(2)](SiMe(2)Ph)(2) (NHC = N-heterocyclic carbene; Dip =... 
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 02/2012, Volume 18, Issue 6, pp. 1772 - 1780
Quantum‐chemical calculations at the BP86/TZVPP level have been carried out for the heavy Group 14 homologues of carbodiphosphorane E(PPh3)2, where E=Si, Ge,... 
divalent E compounds | density functional calculations | bonding analysis | donor–acceptor complexes | ylidone | donor-acceptor complexes | COORDINATION CHEMISTRY | N-HETEROCYCLIC CARBENE | ENERGY | MOLECULAR-STRUCTURE | MAIN-GROUP | COMPLEXES | CHEMISTRY, MULTIDISCIPLINARY | SUBOXIDE | BASIS-SETS | DIVALENT CARBON COMPOUNDS | ELECTRONIC-STRUCTURE
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 07/2012, Volume 134, Issue 28, p. 11749
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 08/2019, Volume 123, Issue 32, pp. 7021 - 7033
Journal Article
SCIENTIFIC REPORTS, ISSN 2045-2322, 02/2019, Volume 9, Issue 1, pp. 3108 - 9
We examined the potential association of idiopathic normal pressure hydrocephalus (iNPH) with the generation of normal-tension glaucoma (NTG), to explore... 
SENESCENT CHANGES | OPEN-ANGLE GLAUCOMA | CEREBROSPINAL-FLUID PRESSURE | ALZHEIMERS-DISEASE | FLUCTUATIONS | MULTIDISCIPLINARY SCIENCES | JAPANESE | CHOROID-PLEXUS | INTRAOCULAR-PRESSURE | CIRCULATORY PHYSIOLOGY | INTRACRANIAL-PRESSURE | Glaucoma | Optic nerve | Hydrocephalus | Visual field | Morphology | Patients | Pressure
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 06/2013, Volume 135, Issue 24, pp. 8955 - 8965
The reaction of a Ge(II) hydride compound HC{CMeArN}(2)GeH (Ar = 2,6-iPr(2)C(6)H(3)) 1 with 2,2,2-trifluor-oacetophenone (CF3PhCO) is theoretically... 
HYDROGEN | DIGERMYNE | ACTIVATION | DIHYDROGEN | BASIS-SETS | MECHANISMS | BOND | CARBON-DIOXIDE | CHEMISTRY, MULTIDISCIPLINARY | HYDRIDE | Measurement | Usage | Analysis | Density functionals | Germanium | Chemical properties | Structure | Hydrogenation | Surface energy
Journal Article
Journal of Physical Chemistry A, ISSN 1089-5639, 10/2009, Volume 113, Issue 43, pp. 11693 - 11698
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 01/2019, Volume 40, Issue 1, pp. 181 - 190
Experimentally observed NO dimerization on Cu and Ag surfaces is surprising because binding energy of NO dimer is very small in gas phase. MRMP2, MP2 to MP4,... 
MRMP2 | NO dimerization | DFT | Cu cluster | Ag cluster | CORE-SHELL | ENERGY | MOLECULAR CALCULATIONS | GENERALIZED-GRADIENT-APPROXIMATION | CHEMISTRY, MULTIDISCIPLINARY | EXCITED-STATES | DENSITY FUNCTIONALS | PERTURBATION-THEORY | NITRIC-OXIDE | SURFACES
Journal Article
Chemical Society Reviews, ISSN 0306-0012, 6/2014, Volume 43, Issue 14, pp. 516 - 5139
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 03/2019, Volume 25, Issue 15, pp. 3795 - 3798
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 08/2009, Volume 15, Issue 34, pp. 8593 - 8604
Quantum‐chemical calculations at the BP86/TZVPP level of theory have been carried out for compounds EL2 for E=Si, Ge, Sn, where L is a five‐membered cyclic... 
metal complexes | divalent E compounds | density functional calculations | proton affinity | ylidone | Proton affinity | Density functional calculations | Ylidone | Divalent e compounds | Metal complexes | CARBON CHEMISTRY | CARBODICARBENE | ALLENE | SILICON | ISOMERS | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 06/2007, Volume 129, Issue 25, pp. 7766 - 7767
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 03/2009, Volume 15, Issue 14, pp. 3448 - 3456
Bridge of Si's: Quantum‐chemical calculations suggest that the bonding situation in the recently synthesized “trisilaallene” is better described in terms of... 
density functional calculations | silylone | silicon | bonding analysis | trisilaallene | carbon | Bonding analysis | Density functional calculations | Silicon | Silylone | Carbon | Trisilaallene | CARBODICARBENE | ALLENES | MAIN-GROUP ELEMENTS | CHEMISTRY, MULTIDISCIPLINARY | ATOM | CARBON CHEMISTRY | P-4 | ISOMERS | CARBODIPHOSPHORANES | LIGAND PROPERTIES | BOND
Journal Article
Journal of Physical Chemistry C, ISSN 1932-7447, 05/2017, Volume 121, Issue 19, pp. 10514 - 10528
Journal Article
Inorganic Chemistry, ISSN 0020-1669, 02/2011, Volume 50, Issue 3, pp. 819 - 826
Journal Article
Journal of Physical Chemistry C, ISSN 1932-7447, 2017, Volume 121, Issue 1, pp. 300 - 307
Bimetallic alloy nanoparticles are promising candidates for replacing platinum group metals utilized in the catalytic removal of nitrogen oxides in exhaust... 
DENSITY | MECHANISM | REDUCTION | MATERIALS SCIENCE, MULTIDISCIPLINARY | CONTROLLED SIZE | CHEMISTRY, PHYSICAL | RELATIVISTIC EFFECTIVE POTENTIALS | NANOSCIENCE & NANOTECHNOLOGY | SOLUTION ALLOY NANOPARTICLES | SPIN-ORBIT OPERATORS | MOLECULES
Journal Article
JOURNAL OF PHYSICAL CHEMISTRY A, ISSN 1089-5639, 08/2019, Volume 123, Issue 32, pp. 7021 - 7033
Reaction of NO molecule on M-13 and M-55 clusters (M = Ru, Rh, Pd, and Ag) was theoretically investigated to elucidate why its reaction behavior depends on the... 
BONDING NATURE | SIGMA-BOND | CATALYSIS | REDUCTION | DIMER | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | NITRIC-OXIDE | CHEMISTRY, PHYSICAL | TOTAL-ENERGY CALCULATIONS | DISSOCIATIVE ADSORPTION
Journal Article
Pure and Applied Chemistry, ISSN 0033-4545, 02/2010, Volume 82, Issue 3, pp. 603 - 612
A novel 1,2-diaryldisilyne, BbtSi≡SiBbt (Bbt = 2,6-bis[bis(trimethylsilyl)methyl]-4-[tris(trimethylsilyl)methyl]phenyl), was synthesized as a stable compound... 
dibromodisilene | digermyne | triple bond | disilyne | kinetic stabilization | Kinetic stabilization | Disilyne | Triple bond | Digermyne | Dibromodisilene | ELEMENT ALKYNE ANALOGS | COMPOUND | CHEMISTRY, MULTIDISCIPLINARY | LOW COORDINATION | METAL ALKYLS | SI | CHEMISTRY | TIN | SILICON TRIPLE BOND | LEAD ANALOGS | Atomic properties | Silicon | Chemical properties | Structure | Chemical synthesis | Production processes | Methods
Journal Article
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