Vibrational assignments and derived potential energy distributions for tri- and difluoromethyl ketene by density functional calculations

2001 ◽  
Vol 7 (9) ◽  
pp. 343-353 ◽  
Author(s):  
Wolfgang Förner ◽  
Hassan M. Badawi ◽  
Abdulaziz A. Al-Saadi ◽  
Sk. Asrof Ali
Keyword(s):  
Potential Energy ◽  
Density Functional Calculations ◽  
Density Functional ◽  
Energy Distributions ◽  
Vibrational Assignments

Density-functional calculations of the conversion of methane to methanol on platinum-decorated sheets of graphene oxide

2015 ◽  
Vol 17 (39) ◽  
pp. 26191-26197 ◽  
Author(s):  
Shiuan-Yau Wu ◽  
Chien-Hao Lin ◽  
Jia-Jen Ho
Keyword(s):  
Graphene Oxide ◽  
Potential Energy ◽  
Density Functional Calculations ◽  
Methane Conversion ◽  
Density Functional ◽  
Energy Diagram ◽  
Conversion Of Methane ◽  
Potential Energy Diagram

The calculated optimum potential-energy diagram of methane conversion on (a) Pt2/GO, (b) Pt2O/GO, and (c) Pt2O2/GO sheets.

A spectroscopic investigation of trimethyl- and triphenyl-arsine adducts of boron trihalides

1981 ◽  
Vol 59 (15) ◽  
pp. 2417-2428 ◽  
Author(s):  
John E. Drake ◽  
Layla N. Khasrou ◽  
Abdul Majid
Keyword(s):  
Nmr Spectroscopy ◽  
Potential Energy ◽  
Spectroscopic Investigation ◽  
Normal Coordinate Analysis ◽  
Normal Coordinate ◽  
Energy Distributions ◽  
Vibrational Assignments ◽  
Potential Parameters ◽  
C Nmr

Trimethyl- and triphenyl-arsine adducts of the type (CH3)3AsBX3 and (C6H5)3AsBX3, X = Cl, Br, I, have been prepared and characterised by infrared, Raman, 1H and 13C nmr spectroscopy. The vibrational assignments based on normal coordinate analysis are presented for the series (CH3)3AsBX3. Potential energy distributions and modified Urey–Bradley potential parameters are reported.

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