نتایج جستجو برای: rotational barrier

تعداد نتایج: 120111  

Journal: :Magnetic Resonance in Chemistry 2021

10-Hydrazino-BODIPY, BoNHNH2 , presents slow rotation about the C10-NH bond that results in anisochronous 1 H and 13 C NMR signals. The assignment of different signals has been made using traditional two-dimensional methods as well spin-spin coupling constants confirmed by DFT calculations (B3LYP) 6-311++G(d,p) basis set. rotational barrier determined three pairs proton compared with calculated...

2001
Ya-Ting Kao Wei-Chen Chen Chin-Hui Yu I-Chia Chen

The dynamics of photodissociation of propenal at 193 nm are studied by detecting laser-induced fluorescence of nascent fragment HCO in its transition B̃ A8– X̃ A8. Rotational states up to N 530 and K53 of HCO X̃ A8 are populated and vibrational states ~000!, ~010!, and ~001! are detected. The Ka51 doublet states and the two spin states for all vibrational levels detected are nearly equally populat...

Journal: :The Journal of chemical physics 2006
Keiran C Thompson Deborah L Crittenden Scott H Kable Meredith J T Jordan

Previous experimental and theoretical studies of the radical dissociation channel of T(1) acetaldehyde show conflicting behavior in the HCO and CH(3) product distributions. To resolve these conflicts, a full-dimensional potential-energy surface for the dissociation of CH(3)CHO into HCO and CH(3) fragments over the barrier on the T(1) surface is developed based on RO-CCSD(T)/cc-pVTZ(DZ) ab initi...

This paper investigates the effect of inserting a ring type barrier on leakage flow of brush seals with different bristles clearances (the distance between bristle pack tip and rotor surface). The ring is placed on both upstream and downstream sides of the bristles. An axisymmetric CFD model is employed to calculate radial pressure distribution along backing plate, axial pressure variation on r...

Journal: :Angewandte Chemie 2016
Gongping Liu Nanwen Li Stephen J Miller Danny Kim Shouliang Yi Ying Labreche William J Koros

New rigid polyimides with bulky CF3 groups were synthesized and engineered into high-performance hollow fiber membranes. The enhanced rotational barrier provided by properly positioned CF3 side groups prohibited fiber transition layer collapse during cross-linking, thereby greatly improving CO2 /CH4 separation performance compared to conventional materials for aggressive natural gas feeds.

1993
M. Baldo E. G. Lanza A. Rapisarda

We discuss the relevance of chaotic scattering in heavy–ion reactions at energies around the Coulomb barrier. A model in two and three dimensions which takes into account rotational degrees of freedom is discussed both classically and quantum-mechanically. The typical chaotic features found in this description of heavy-ion collisions are connected with the anomalous behaviour of several experim...

2009
FRANK C. DE LUCIA

Over 250 rotational transitions of the internal rotor methyl formate (HCOOCH3 ) in its ground ( V1 = 0) degenerate (E) torsional substate have been measured in the millimeter-wave spectral region. These data and a number of E-state lines identified by several other workers have been analyzed using an extension of the classical principal-axis method in the high barrier limit. The resulting rotat...

Journal: :Chaos 1993
M. Baldo E. G. Lanza A. Rapisarda

We discuss the relevance of chaotic scattering in heavy-ion reactions at energies around the Coulomb barrier. A model in two and three dimensions which takes into account rotational degrees of freedom is discussed both classically and quantum mechanically. The typical chaotic features found in this description of heavy-ion collisions are connected with the anomalous behavior of several experime...

2008
C. BÎRSAN T. SAJIN

The paper presented and analyzed the main types of generators and ozone aeroions and proposed construction of two new generators, which combine the functions of cooling and the electrodes and pressing process gas containing oxygen, eg air. The first generator has no mobile parts and consists of a system of electrodes for dielectric barrier discharge with a compressor and electrogasdyinamic main...

1999
Paul A. Stockman

Microwave and far-infrared spectra of the H, N-HOH dimer have been recorded from 36 to 86 GHz and 520 to 800 GHz with a planar supersonic jet/tunable laser sideband spectrometer. The a-type pure rotational microwave data extend the previous m = 0, K = 0 A symmetry manifold measurements of Herbine and Dyke [J. Chem. Phys. 83, 3768 ( 1980) ] to higher frequency and also provide an additional set ...

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