scholarly journals DFT Calculations and Statistical Mechanics Applied to Isomerization of Pseudosaccharins

2018 ◽  
Author(s):  
Zuriel Natanael Cisneros-García ◽  
David Alejandro Hernández-Velázquez ◽  
Francisco J. Tenorio ◽  
Jaime Gustavo Rodríguez-Zavala
Keyword(s):  
Statistical Mechanics ◽  
Dft Calculations

Statistical mechanics of defects in polymer liquid crystals

1992 ◽  
Vol 2 (5) ◽  
pp. 1215-1236 ◽  
Author(s):  
Jonathan V. Selinger ◽  
Robijn F. Bruinsma
Keyword(s):  
Liquid Crystals ◽  
Statistical Mechanics ◽  
Polymer Liquid ◽  
Polymer Liquid Crystals

Structure elucidation of a proton-deficient natural product using LR-HSQMBC supported by DFT calculations

Planta Medica ◽  
2015 ◽  
Vol 81 (11) ◽  
Author(s):  
J Saurí ◽  
STS Chan ◽  
AV Buevich ◽  
KR Gustafson ◽  
RT Williamson ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Natural Product ◽  
Structure Elucidation
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