Continuous force field analysis for generalized gradient vector flow field

2010 ◽  
Vol 43 (10) ◽  
pp. 3522-3538 ◽  
Author(s):  
Annupan Rodtook ◽  
Stanislav S. Makhanov
2013 ◽  
Vol 14 (1) ◽  
pp. 28-47 ◽  
Author(s):  
Donald James Swanson ◽  
Andrew Shawn Creed

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

2014 ◽  
Vol 42 (1) ◽  
pp. 25-38 ◽  
Author(s):  
Yi Le ◽  
Xianze Xu ◽  
Li Zha ◽  
Wencheng Zhao ◽  
Yanyan Zhu

1976 ◽  
Vol 31 (12) ◽  
pp. 1589-1600 ◽  
Author(s):  
Lennart Lyhamn ◽  
S. J. Cyvin ◽  
B. N. Cyvin ◽  
J. Brunvoll

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.


Sign in / Sign up

Export Citation Format

Share Document