Vibrational-Rotational Effects on the Nuclear Magnetic Shielding Constant in the H₂, HD, and D₂ Molecules

Author: Gilman, Robert Reagan

Year: 1964

Degree: Bachelor's thesis

Advisor: Chan, Sunney I.

Committee Member: Unknown, Unknown

Option: Chemistry

DOI: 10.7907/3fq5-aw10

Abstract

Nuclear shielding theory is reviewed. General expressions are developed for the shielding using an extension of the Chan- Das formalism, including vibration and rotation. The James Coolidge wave functions by Kolos and Roothaan for H₂ are employed. The electronic integrals for the diamagnetic part of the shielding are reduced to well-known functions. Flowcharts are presented to outline machine computation.

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