An empirical potential function for cyclopropene and vibrational spectra of cyclopropene-1,3-d2

1987 ◽  
Vol 91 (7) ◽  
pp. 1764-1769 ◽  
Author(s):  
Norman C. Craig ◽  
Julianto. Pranata
Keyword(s):  
Potential Function ◽  
Vibrational Spectra ◽  
Empirical Potential

Vibrational Spectra and Potential Function for SnH4 and SnD4

1965 ◽  
Vol 43 (11) ◽  
pp. 4023-4029 ◽  
Author(s):  
Ira W. Levin ◽  
Herman Ziffer
Keyword(s):  
Potential Function ◽  
Vibrational Spectra

ADSORPTION AND DIFFUSION OF Si ON THE Si(001): AN EMPIRICAL POTENTIAL CALCULATION

2002 ◽  
Vol 16 (04) ◽  
pp. 621-629 ◽  
Author(s):  
JUN CAI ◽  
JIAN-SHENG WANG
Keyword(s):  
Potential Function ◽  
Binding Sites ◽  
Surface Adsorption ◽  
First Principle ◽  
Empirical Potential ◽  
First Principle Calculations ◽  
Diffusion Paths ◽  
And Diffusion ◽  
Formation Energies ◽  
Diffusion Activation

A recently developed potential function for covalent materials (Phys. Stat. Sol.B212, 9 (1999)) is used to simulate the surface adsorption, and diffusion of Si adtom and ad-dimer on the Si(001) surface. We calculate the formation energies and diffusion activation energies of several possible binding sites. The predicted stable and metastable configurations and diffusion paths of Si ad-atom and Si ad-dimer on Si(001)-(2×1) surface are in agreement with that from the first principle calculations or experiments.

ChemInform Abstract: VIBRATIONAL SPECTRA AND A POTENTIAL FUNCTION FOR THE MONOFLUOROCYCLOPROPENYL-D0 AND -D2 CATIONS

1980 ◽  
Vol 11 (15) ◽  
Author(s):  
N. C. CRAIG ◽  
R. K.-Y. LAI ◽  
L. G. MATUS ◽  
J. H. MILLER ◽  
S. L. PALFREY
Keyword(s):  
Potential Function ◽  
Vibrational Spectra

Forces in Molecules. III. Analysis of an Empirical Potential Function

1963 ◽  
Vol 39 (12) ◽  
pp. 3316-3321 ◽  
Author(s):  
William L. Clinton ◽  
Sandra D. Frattali
Keyword(s):  
Potential Function ◽  
Empirical Potential

Vibrational spectra and a potential function for 3-chlorocyclopropene and its various deuterated modifications

1987 ◽  
Vol 43 (4) ◽  
pp. 569-582 ◽  
Author(s):  
Norman C. Craig ◽  
Julianto Pranata ◽  
Sara Jamie Reinganum ◽  
Julian R. Sprague ◽  
Philip S. Stevens
Keyword(s):  
Potential Function ◽  
Vibrational Spectra

Vibrational spectra and a potential function for the monofluorocyclopropenyl-d0 and -d2 cations

1980 ◽  
Vol 102 (1) ◽  
pp. 38-46 ◽  
Author(s):  
Norman C. Craig ◽  
Ronnie K. Y. Lai ◽  
Lawrence G. Matus ◽  
J. Houston Miller ◽  
Stephen L. Palfrey
Keyword(s):  
Potential Function ◽  
Vibrational Spectra
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