Theoretical study of hydration in Y2Mo3O12: Effects on structure and negative thermal expansion

AIP Advances

Volumn 5, Issue 2, 2015, Pages

  Wu, Ming Yi ^a   Wang, Lei ^a   Jia, Yu ^a   Guo, Zheng Xiao ^b   Sun, Qiang ^a  

^a ZHENGZHOU UNIVERSITY   (China)

^b UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; BINDING ENERGY; CALCULATIONS; HYDROGEN; HYDROGEN BONDS; MOLECULES; NEGATIVE THERMAL EXPANSION; THERMAL EXPANSION;

AB INITIO CALCULATIONS; BINDING PROPERTIES; FUNDAMENTAL MECHANISMS; PHONON CALCULATION; THEORETICAL STUDY; TRANSVERSE VIBRATIONS; VIBRATIONAL MODES; VOLUME CONTRACTION;

WATER ABSORPTION;

EID: 84923347302     PISSN: None     EISSN: 21583226     Source Type: Journal    
DOI: 10.1063/1.4913361     Document Type: Article

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