Chemical reaction surface vibrational frequencies evaluated in curvilinear internal coordinates: Application to H+CH4⇌H2+CH3

2009 ◽  
Vol 130 (2) ◽  
pp. 024106 ◽  
Author(s):  
Simon T. Banks ◽  
David C. Clary
Keyword(s):  
Chemical Reaction ◽  
Vibrational Frequencies ◽  
Reaction Surface ◽  
Internal Coordinates

On Centrifugal Distortion and Urey-Bradley Force Field of Chlorofluoromethane

1979 ◽  
Vol 34 (8) ◽  
pp. 954-956 ◽  
Author(s):  
A. I. Jaman ◽  
R. N. Nandi
Keyword(s):  
Force Field ◽  
Field Model ◽  
Vibrational Frequencies ◽  
Force Constants ◽  
Centrifugal Distortion ◽  
Normal Coordinate ◽  
Internal Coordinates ◽  
Centrifugal Distortion Constants ◽  
Coordinate Treatment ◽  
Good Agreement

Abstract A normal coordinate treatment of chlorofluoromethane has been performed in the Urey-Bradley force field model using the centrifugal distortion constants and the vibrational frequencies. Since the molecule has only one plane of symmetry (Cs), the symmetrized internal coordinates have not been used in the calculation. The effect of the angular redundancy has been rigorously treated and the derived force constants are in good agreement with those of other halogenated methane.

Reaction‐path potential and vibrational frequencies in terms of curvilinear internal coordinates

1995 ◽  
Vol 102 (8) ◽  
pp. 3188-3201 ◽  
Author(s):  
Charles F. Jackels ◽  
Zhen Gu ◽  
Donald G. Truhlar
Keyword(s):  
Reaction Path ◽  
Vibrational Frequencies ◽  
Internal Coordinates

Directional observation on lipid of male nectary of Lindera megaphylla hemsl. by the rapid embedding method with polyethylene glycol (PEG)

1990 ◽  
Vol 48 (3) ◽  
pp. 718-719
Author(s):  
Dai Dalin ◽  
Guo Jianmin
Keyword(s):  
Electron Microscope ◽  
Polyethylene Glycol ◽  
Chemical Reaction ◽  
Traditional Method ◽  
Osmium Tetroxide ◽  
Unsaturated Lipid ◽  
Embedding Method ◽  
Long Period ◽  
New Methods

Lipid cytochemistry has not yet advanced far at the EM level. A major problem has been the loss of lipid during dehydration and embedding. Although the adoption of glutaraldehyde and osmium tetroxide accelerate the chemical reaction of lipid and osmium tetroxide can react on the double bouds of unsaturated lipid to from the osmium black, osmium tetroxide can be reduced in saturated lipid and subsequently some of unsaturated lipid are lost during dehydration. In order to reduce the loss of lipid by traditional method, some researchers adopted a few new methods, such as the change of embedding procedure and the adoption of new embedding media, to solve the problem. In a sense, these new methods are effective. They, however, usually require a long period of preparation. In this paper, we do research on the fiora nectary strucure of lauraceae by the rapid-embedding method wwith PEG under electron microscope and attempt to find a better method to solve the problem mentioned above.

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