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Journal of Chemical Physics

Volumn 131, Issue 24, 2009, Pages

Anharmonic OH vibrations in Mg (OH) 2 (brucite): Two-dimensional calculations and crystal-induced blueshift

(4) Hermansson, Kersti a,b Probst, Michael M c Gajewski, Grzegorz a Mitev, Pavlin D a,b

a UPPSALA UNIVERSITY (Sweden)

b ROYAL INSTITUTE OF TECHNOLOGY (Sweden)

c UNIVERSITY OF INNSBRUCK (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

ANHARMONIC; BLUE SHIFT; BLUE-SHIFTED; BRUCITE; DENSITY FUNCTIONAL THEORY CALCULATIONS; GASPHASE; INTERLAYER INTERACTIONS; PSEUDOPOTENTIAL MODELS; QUANTUM MECHANICAL; REDSHIFTING; VIBRATIONAL FREQUENCIES; VIBRATIONAL MODELS;

DENSITY FUNCTIONAL THEORY; ELECTRIC FIELDS; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; QUANTUM CHEMISTRY;

TWO DIMENSIONAL;

HYDROXIDE; HYDROXIDE ION; MAGNESIUM HYDROXIDE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; GAS; QUANTUM THEORY; VIBRATION; X RAY CRYSTALLOGRAPHY;

CRYSTALLOGRAPHY, X-RAY; GASES; HYDROXIDES; MAGNESIUM HYDROXIDE; MODELS, MOLECULAR; MOLECULAR CONFORMATION; QUANTUM THEORY; VIBRATION;

EID: 73649105477 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.3266507 Document Type: Article

Times cited : (18)

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