Very low HOH bending frequencies. II. Quantum chemical study of the water bending potential in compounds of the MKPO4·H2O type

Journal of Molecular Structure

Volumn 563-564, Issue , 2001, Pages 321-327

  Pejov, Lj ^a   Soptrajanov B ^a,b   Jovanovski, G ^a  

^a SS CYRIL AND METHODIUS UNIVERSITY   (Macedonia)

^b MACEDONIAN ACADEMY OF SCIENCES AND ARTS   (Macedonia)

Author keywords

Ab initio methods; Finite field methodology; Low water bending frequencies; Metal potassium phosphates monohydrates; PM3 method

Indexed keywords

POTASSIUM DIHYDROGEN PHOSPHATE; WATER;

CALCULATION; CONFERENCE PAPER; ENERGY TRANSFER; HYDROGEN BOND; QUANTUM CHEMISTRY; VIBRATION;

EID: 0035962522     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-2860(00)00958-3     Document Type: Conference Paper

References (13)