Multicomponent DFT study of geometrical H/D isotope effect on hydrogen-bonded organic conductor, κ-H 3 (Cat EDT-ST) 2
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference48 articles.
1. Structure and thermal properties of crystals. VI. The role of hydrogen bonds in Rochelle salt;Ubbelohde;Proc. R. Soc. A,1946
2. Acid-Base effects in hydrogen bonds in crystals;Ubbelohde;Acta Crystallogr.,1955
3. The O–H vs O⋯O distance correlation, the geometric isotope effect in OHO bonds, and its application to symmetric bonds;Ichikawa;Acta Crystallogr. Sect. B,1978
4. Geometric effects of deuteration on hydrogen-ordering phase transitions;McMahon;Nature,1990
5. Hydrogen-bond geometry and its isotope effect in crystals with OHO bonds—revisited;Ichikawa;J. Mol. Struct.,2000
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