Theoretical Study on Conformation Dynamics of Three-Station Molecular Shuttle in Different Environments and its Influence on NMR Chemical Shifts and Binding Interactions

2014 ◽  
Vol 118 (39) ◽  
pp. 9032-9044 ◽  
Author(s):  
Pingying Liu ◽  
Wei Li ◽  
Li Liu ◽  
Leyong Wang ◽  
Jing Ma
Keyword(s):  
Theoretical Study ◽  
Chemical Shifts ◽  
Binding Interactions ◽  
Nmr Chemical Shifts ◽  
Molecular Shuttle

Spirocyclic tin salicyl alcoholates – a combined experimental and theoretical study on their structures, 119Sn NMR chemical shifts and reactivity in thermally induced twin polymerization

2019 ◽  
Vol 48 (1) ◽  
pp. 220-230
Author(s):  
Philipp Kitschke ◽  
Ana-Maria Preda ◽  
Alexander A. Auer ◽  
Sebastian Scholz ◽  
Tobias Rüffer ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Chemical Shifts ◽  
Molecular Structures ◽  
Thermally Induced ◽  
Nmr Chemical Shifts ◽  
119Sn Nmr

Studies on a series of spirocyclic tin salicyl alcoholates regarding their molecular structures and their reactivity in twin polymerization are presented.

1H NMR Chemical Shifts of Cyclopropane and Cyclobutane: A Theoretical Study

2013 ◽  
Vol 78 (4) ◽  
pp. 1504-1507 ◽  
Author(s):  
Marija Baranac-Stojanović ◽  
Milovan Stojanović
Keyword(s):  
1H Nmr ◽  
Theoretical Study ◽  
Chemical Shifts ◽  
Nmr Chemical Shifts

The impact of the π-electron conjugation on15N,13C and1H NMR chemical shifts inpush–pull benzothiazolium salts. Experimental and theoretical study

2007 ◽  
Vol 45 (11) ◽  
pp. 942-953 ◽  
Author(s):  
Peter Hrobárik ◽  
Branislav Horváth ◽  
Ivica Sigmundová ◽  
Pavol Zahradník ◽  
Olga L. Malkina
Keyword(s):  
Theoretical Study ◽  
Chemical Shifts ◽  
Nmr Chemical Shifts ◽  
The Impact

Theoretical study on metal NMR chemical shifts: niobium complexes

1992 ◽  
Vol 96 (11) ◽  
pp. 4375-4381 ◽  
Author(s):  
Manabu Sugimoto ◽  
Mamoru Kanayama ◽  
Hiroshi Nakatsuji
Keyword(s):  
Theoretical Study ◽  
Chemical Shifts ◽  
Nmr Chemical Shifts ◽  
Niobium Complexes

scholarly journals Theoretical study on 31P NMR chemical shifts of phosphorus-modified CHA zeolites

2020 ◽  
Vol 294 ◽  
pp. 109908 ◽  
Author(s):  
Pei Zhao ◽  
Bundet Boekfa ◽  
Toshiki Nishitoba ◽  
Nao Tsunoji ◽  
Tsuneji Sano ◽  
...  
Keyword(s):  
31P Nmr ◽  
Theoretical Study ◽  
Chemical Shifts ◽  
Nmr Chemical Shifts
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