Equilibrium Se isotope fractionation parameters: A first-principles study

Earth and Planetary Science Letters

Volumn 304, Issue 1-2, 2011, Pages 113-120

  Li, Xuefang ^a   Liu, Yun ^a  

^a INSTITUTE OF GEOCHEMISTRY   (China)

Author keywords

Bigeleisen Mayer equation; DFT; Equilibrium isotope fractionation; Se isotope

Indexed keywords

ANHARMONIC EFFECT; AQUEOUS COMPLEXES; BIGELEISEN-MAYER EQUATION; CONDENSED PHASIS; DFT; EQUILIBRIUM ISOTOPE FRACTIONATION; EXPLICIT SOLVENTS; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; FREQUENCY-SCALING; HARMONIC APPROXIMATION; ISOTOPE FRACTIONATION; REDOX CONDITION; REDOX STATE; SE ISOTOPE; SELENOAMINO ACIDS; SOLVATION EFFECT; WATER DROPLETS;

CALCULATIONS; FRACTIONATION;

ISOTOPES;

AQUEOUS SOLUTION; EQUILIBRIUM; ISOTOPIC FRACTIONATION; REDOX CONDITIONS;

EID: 79952630130     PISSN: 0012821X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.epsl.2011.01.022     Document Type: Article

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