The Journal of Physical Chemistry B

Theoretical studies of the in-solution isomeric protonation of non-aromatic six-member rings with two nitrogens

PI Nagy, WS Messer Jr

Index: Okada; Shimabayashi Chemical and Pharmaceutical Bulletin, 1980 , vol. 28, # 11 p. 3310 - 3314

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Citation Number: 9

Abstract

... Volume: Page: ... Center for Drug Design and Development, ‡ Department of Medicinal & Biological Chemistry, and § Department ... Quantum chemical calculations were performed by means of the Gaussian 03 package(27) running at the Ohio Supercomputer ...