The values of Delta(f)G degrees(T)(Al-n) (n=3-10 atoms, T <= 3000 K), determined using the ROCBS-QB3 values of S degrees(T)(Al-n) and of the corrected values of Delta H-f degrees(T)(Al-n)

Poskrebyshev, GA

Poskrebyshev, GA (reprint author), Russian Acad Sci, Inst Energy Problems Chem Phys, Bldg 38-2, Moscow, Russia.

COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2018; 1143 (): 52

Abstract

In the present work, the values of Delta(f)G degrees(T)(Al-k(n))(CORR) have been determined on the basis of the thermochemistry of atomization reactio......

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