The O-H(D) stretching potentials of the hydrogen bonded water molecules in MCL2·2H2O (M ∈ {Mn, Co, Fe}). Ab initio and density functional study

Journal of Molecular Structure

Volumn 565-566, Issue , 2001, Pages 427-431

  Pejov, Lj ^a   Stefov, V ^a   Soptrajanov B ^a,b   Yukhnevich, G ^c   Tarakanova, E ^c  

^a SS CYRIL AND METHODIUS UNIVERSITY   (Macedonia)

^b MACEDONIAN ACADEMY OF SCIENCES AND ARTS   (Macedonia)

^c KURNAKOV INSTITUTE OF GENERAL AND INORGANIC CHEMISTRY   (Russian Federation)

Author keywords

Ab initio theory; Anharmonic frequencies; Crystalline hydrates; Density functional theory; Water stretching vibrations

Indexed keywords

CHLORIDE; COBALT; IRON; MANGANESE; WATER;

CHEMICAL STRUCTURE; CONFERENCE PAPER; DENSITY; ELECTRICITY; HYDROGEN BOND; INFRARED SPECTROSCOPY; QUANTUM CHEMISTRY; X RAY CRYSTALLOGRAPHY;

EID: 0035972711     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-2860(01)00454-9     Document Type: Conference Paper

References (17)