[H937-2vn] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

3:55 PM - 4:05 PM JST(6:55 AM - 7:05 AM UTC)Japanese

[H937-2vn-01] Calculation of equilibrium isotope fractionation factor by polarized continuum model considering water properties at high temperature and pressure

○Satoshi Okada¹, Manabu Nishizawa¹ (1. Japan Agency for Marine-Earth Science and Technology)

Keywords:

Isotope Fractionation,Reduced partition function ratio,Solvation,Quantum Chemisry,Nitrogen Cycle