A. C. Roach

发表

Distribution of reaction products (theory). VII. D+ + H2 → DH + H+ using an ab initio potential-energy surface

J. Polanyi, W. Wong, I. Csizmadia, 1969 .

Electronic potential energy surfaces for the reaction K+NaCl=KCl+Na

M. Child, A. C. Roach, 1968 .

The potential curve of ArH+ and the heats of the reactions Ar++ H2→ ArH++ H and Ar + H2+→ ArH++ H

A. C. Roach, P. Kuntz, 1970 .

Ion-molecule reactions of the rare gases with hydrogen. Part 1.—Diatomics-in-molecules potential energy surface for ArH+2

A. C. Roach, P. Kuntz, 1972 .

On the mechanism of the reaction K + HBr → KBr + H

A. C. Roach, 1970 .

Potential curves of alkali diatomic molecules and the origins of bonding anomalies

P. Baybutt, A. C. Roach, 1970 .

A semiempirical valence bond π‐electron theory related to the method of diatomics‐in‐molecules

A. C. Roach, E. Gimzewski, 1980 .

Unified large basis set diatomics‐in‐molecules models for ground and excited states of H3

A. C. Roach, P. Kuntz, 1986 .

Ab Initio SCF–MO–CI Calculations for H−, H2, and H3+ Using Gaussian Basis Sets

J. Polanyi, M. Robb, I. Csizmadia, 1970 .

A diatomics‐in‐molecules case study on the system Be+HF→BeF+H. I. Bonding models and the use of valence bond information

A. C. Roach, P. Kuntz, 1981 .

A diatomics‐in‐molecules case study on the system Be+HF→BeF+H. II. The sensitivity of the potential surfaces to the diatomic input

A. C. Roach, P. Kuntz, 1981 .

Classical trajectory study of exothermic ion‐molecule reactions

A. C. Roach, P. Kuntz, 1973 .

Bonding in BeF and a consequent unusual progression of vibrational spacings

A. C. Roach, P. Kuntz, 1982 .

Theoretical ground state and excited state potential energy curves for alkali diatomic molecules

A. C. Roach, 1972 .