[PDF] Top 20 Exploring the dynamics of reaction N(D-2) + C2H4 with crossed molecular-beam experiments and quantum-chemical calculations
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Exploring the dynamics of reaction N(D-2) + C2H4 with crossed molecular-beam experiments and quantum-chemical calculations
... pressure of 54 psi. The pulsed molecular ethene beam was collimated with a ...near the reaction region was chilled to 14 K to diminish the background pressure in ... See full document
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Dissociation of energy-selected c-C2H4S+ in a region 10.6-11.8 eV: Threshold photoelectron-photoion coincidence experiments and quantum-chemical calculations
... THEORETICAL CALCULATIONS We calculated the molecular structures and energies of c-C 2 H 4 S and species pertinent to this work with ... See full document
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Reaction Dynamics of O(D-1,P-3) + OCS Studied with Time-Resolved Fourier Transform Infrared Spectroscopy and Quantum Chemical Calculations
... Torr, and P Ar ) 0 to 1.5 Torr. Flow rates were F O 3 ) 1.0 to 2.4 sccm, F OCS ) ...sccm, and F Ar ) 0 to 70.0 sccm. Approximately 60% of O 3 was dissociated upon irradiation at 248 nm ... See full document
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Dynamics of the F(2) reaction with the simplest pi-bonding molecule
... Å; and r4 = ...TS1a and TS1b. However, in the crossed beam experiments, we have observed highly asymmetric product angular distribution, in- dicating the ... See full document
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Crossed molecular beam studies on the reaction dynamics of O(D-1)+N2O
... translationally and rota- tionally much colder than other vibrational ...determination of the NO rotational distribution is difficult due to very fast rotation-to- translation relaxation ...bound ... See full document
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Experimental and quantum-chemical studies on dissociative photoionization of c-C2H4S
... photoionization of thiirane (c-C 2 H 4 S) in a region ∼9–20 eV was investigated with photoionization mass spectroscopy and calculations of ... See full document
4
Modified growth of Ge quantum dots using C2H4 mediation by ultra-high vacuum chemical vapor deposition
... amount of pre-deposited C onto the Si substrate induces very small Ge dots with enhanced light-output below the critical thickness ...However, the size uniformity of those ... See full document
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Complexation and metallation of the multifunctional [Ph2P(o-C6H4)CH=N(CH2)2(o-C5H4N)] ligand on triosmium carbonyl clusters
... Characterization of new compounds Compounds 1–5 form air-stable crystalline solids which have been characterized by elemental analyses (C, H, and N), mass, IR and ...NMR. ... See full document
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Dissociation of energy-selected c-C3H6S+ studied with threshold photoelectron-photolon coincidence experiments and calculations
... 98%) and He (>99.999%) at a total stagnation pressure 280 Torr and with a seed ratio 10% was expanded through a nozzle and two skimmers to form a cooled c- C 3 H 6 S ... See full document
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Raman Study of the Phase Transition in [N(C2H5)4]2ZnCl4 Single Crystals
... spectra of oriented single crystals [N(C 2 H 5 ) 4 ] 2 ZnCl 4 (TEAZ) have been recorded from 320 K to 40 K during both cooling and heating cycles, covering ... See full document
5
Study on the Reaction of CH2 with H-2 at High Temperature
... conclusion of this study, in agreement with Friedrichs and Wagner, 25 is that the importance of 1 CH 2 in the reaction of CH 2 + H 2 has ... See full document
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2H T2ρ relaxation dynamics and double-quantum filtered NMR studies
... width of 125 kHz digitized into 8K data points. Each spectrum was the result of averaging 10,000 ...delay of at least 5 T 1 was allowed between scans for the T 1 , DQF, and T ... See full document
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Isomerization reactions of RSNO (R=H, C n H2 n +1 n ? 4)
... 43] c Grel in ref. [42,43] Moreover, the rotational barrier is calculated to be ...14.4 and 13.9 kcal/mol for cis-EtSNO and trans-EtSNO, ...trans- and cis- forms of ... See full document
8
Calorimetric studies of C14 and C15 YMn2 and YMn2(H,D)6
... one of the most basic thermodynamic quantities, is typically not difficult, especially if a bulk sample is ...At the beginning of this investi- gation, however, a bulk C15 YMn 2 ... See full document
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Reaction dynamics of Mg(3 1P1, 4 1S0) with H2: insertion versus harpoon mechanism
... Potential en- ergy surfaces (PES) calculation also indicates that the reactive coordinate along the 1B 2 surface in C2v geometry is attractive, while the collinear[r] ... See full document
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Production of H and O(P-3) Atoms in the Reaction of CH2 with O-2
... results of the numerical computation using 51 elementary reactions, given in Table2, 18,28,36 are shown by the black circles in Figures 2A and 3A; excellent agreement of ... See full document
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Topological Analysis of the Electron Density Distribution of Bis(diiminosuccinonitrilo)nickel, Ni(C4N4H2)2: Comparison between Experiment and Theory
... distribution of the title compound has been investigated recently through deformation density distribution on a combined experimental and theoretical ...theory of atoms in molecules 2 ... See full document
6
Molecular dynamics analysis of potent inhibitors of M2 proton channel against H1N1 swine influenza virus.
... Standard Dynamics cascade of Discovery Studio ...pre-applied with CHARMm force field and then energy was minimised with 500 and 500 steps of steepest descent and ... See full document
7
Water Dynamics on the Surface of MCM-41 via 2H Double Quantum Filtered NMR and Relaxation Measurements
... 3, the total number of water molecules per gram of MCM-41 in each site for samples A, B, and C can be ...depicts the plot of the number of water molecules in ... See full document
9
Syntheses, characterization and structures of chromium group carbonyl complexes containing a multifunctional Ph2P(o-C6H4)CH=N(CH2)2(o-C6H4N) ligand
... Department of Chemistry, National Sun Yat-Sen Uni 6ersity, Kaohsiung 804 , Taiwan b Department of Chemistry, National Taiwan Uni 6ersity, Taipei 106 , Taiwan Received 24 September 1999; received in revised ... See full document
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