A force field analysis of the methyl radicalX̃ 2A‘2state stretching potential using the local mode—coupled Morse oscillator model

1991 ◽  
Vol 95 (12) ◽  
pp. 8793-8802 ◽  
Author(s):  
S. G. Westre ◽  
X. Liu ◽  
J. D. Getty ◽  
P. B. Kelly
Keyword(s):  
Force Field ◽  
Field Analysis ◽  
Oscillator Model ◽  
Local Mode ◽  
Morse Oscillator ◽  
Force Field Analysis

Sharpening the Focus of Force Field Analysis

2013 ◽  
Vol 14 (1) ◽  
pp. 28-47 ◽  
Author(s):  
Donald James Swanson ◽  
Andrew Shawn Creed
Keyword(s):  
Force Field ◽  
Field Analysis ◽  
Force Field Analysis

The energetics of motivated cognition: A force-field analysis.

2012 ◽  
Vol 119 (1) ◽  
pp. 1-20 ◽  
Author(s):  
Arie W. Kruglanski ◽  
Jocelyn J. Bélanger ◽  
Xiaoyan Chen ◽  
Catalina Köpetz ◽  
Antonio Pierro ◽  
...  
Keyword(s):  
Force Field ◽  
Field Analysis ◽  
Motivated Cognition ◽  
Force Field Analysis

Symmetry Coordinates and Tentative Force Field Analysis of a PMo12O40 Model with the Keggin Structure

1976 ◽  
Vol 31 (12) ◽  
pp. 1589-1600 ◽  
Author(s):  
Lennart Lyhamn ◽  
S. J. Cyvin ◽  
B. N. Cyvin ◽  
J. Brunvoll
Keyword(s):  
Experimental Data ◽  
Force Field ◽  
Force Constant ◽  
Raman Spectra ◽  
Vibrational Analysis ◽  
Field Analysis ◽  
Infrared And Raman Spectra ◽  
Symmetry Coordinates ◽  
Force Field Analysis ◽  
Complex Ion

Abstract A complete vibrational analysis is performed for the 53 atomic PMo12O40 model of Td symmetry. The symmetry coordinates are classified into those of (a) ligand vibrations, (b) framework-ligand couplings, (c) framework vibrations, and (d) interligand vibrations. Simple valence force fields are estimated, and the influence of inclusion of redundancies on the calculated frequencies and symmetry force constants is investigated. Comments are made on calculated symmetry force constant values up to 345 mdyne/Å. Vibrational frequencies are calculated for the Mo3O7 and Mo3O13 units and for the PMo12O403- complex ion. For the latter compound the calculated values are compared with experimental data from infrared and Raman spectra.

scholarly journals Force Field Analysis Suggests a Lowering of Diffusion Barriers in Atomic Manipulation Due to Presence of STM Tip

2015 ◽  
Vol 114 (14) ◽  
Author(s):  
Matthias Emmrich ◽  
Maximilian Schneiderbauer ◽  
Ferdinand Huber ◽  
Alfred J. Weymouth ◽  
Norio Okabayashi ◽  
...  
Keyword(s):  
Force Field ◽  
Diffusion Barriers ◽  
Field Analysis ◽  
Force Field Analysis ◽  
Atomic Manipulation
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