Structural symmetry breaking of silicon-containing poly(amide-imide) oligomers and its relation to electrical conductivity and Raman-active vibrations

2011 ◽  
Vol 61 (2) ◽  
pp. 197-204 ◽  
Author(s):  
Carmen M González Henríquez ◽  
Luis H Tagle ◽  
Claudio A Terraza ◽  
Andrés Barriga González ◽  
Ulrich G Volkmann ◽  
...  
2009 ◽  
Vol 21 (45) ◽  
pp. 456007 ◽  
Author(s):  
H Martinho ◽  
C Rettori ◽  
G M Dalpian ◽  
J L F da Silva ◽  
Z Fisk ◽  
...  

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Vol 16 (24) ◽  
pp. 11911-11923 ◽  
Author(s):  
H. Isobe ◽  
M. Shoji ◽  
S. Yamanaka ◽  
H. Mino ◽  
Y. Umena ◽  
...  

Broken-symmetry UB3LYP calculations have elucidated structural symmetry-breaking in the S1 and S3 states of the oxygen evolution complex (OEC) of photosystem II (PSII), providing the right (RO)- and left (LO)-opened structures.


Author(s):  
Pierre Flener ◽  
Justin Pearson ◽  
Meinolf Sellmann ◽  
Pascal Van Hentenryck

2011 ◽  
Vol 126 (3) ◽  
pp. 773-779 ◽  
Author(s):  
A. Reyes-Rojas ◽  
J. Alvarado-Flores ◽  
H. Esparza-Ponce ◽  
M. Esneider-Alcala ◽  
I. Espitia-Cabrera ◽  
...  

2009 ◽  
Vol 57 (1) ◽  
pp. 37-57 ◽  
Author(s):  
Pierre Flener ◽  
Justin Pearson ◽  
Meinolf Sellmann

2020 ◽  
Vol 102 (23) ◽  
Author(s):  
Zhi Wang ◽  
Xin-Gang Zhao ◽  
Robert Koch ◽  
Simon J. L. Billinge ◽  
Alex Zunger

Constraints ◽  
2008 ◽  
Vol 14 (4) ◽  
pp. 506-538 ◽  
Author(s):  
Pierre Flener ◽  
Justin Pearson ◽  
Meinolf Sellmann ◽  
Pascal Van Hentenryck ◽  
Magnus Ågren

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