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A set of pulsed rf spin‐lattice relaxation time measurements has been made on the proton system in CaSO 4 ⋅2H 2 O. The measurements were performed at several crystal orientations, and over a temperature range from 160° to 365°K. A more limited set of measurements was performed on the proton...
Criteria for the optimal choice of finite linear combinations of STO's (Slater‐type orbitals) adequate to closely approximate SCF (self‐consistent‐field) MO's are examined in the light of computations on HF and other molecules. First, however, some aspects of the AO (generalized...
Population analyses of the molecular orbitals of the polyhedral carboranes, B N—2 C 2 H N , are computed. All the geometrical isomers of the trigonal, tetragonal, pentagonal bipyramid, and the icosahedron geometries are analyzed, and predictions made of the reactivities of these compounds and...
The positions of p ‐bands of 20 aromatic polycyclic hydrocarbons have been calculated by the semiempirical limited configuration interaction method in a π‐electron approximation using Hückel's molecular orbitals. The agreement with experimental values is very good. The effect of the extent...
The gas‐phase equilibrium in the systems C 2 H 4 + I 2 ⇌ CH 2 I � CH 2 I , propylene + I 2 ⇌ CH 3 CHI � CH 2 I , have been studied in the temperature range 365° to 476°K using a new technique for the determination of di‐iodides. In addition, existing data are re‐examined for the...
We have measured the probability of transition of the forbidden Vegard—Kaplan system ( A 3 Σ— X 1 Σ) in N 2 , working from the definition of this probability as the ratio of number of photons emitted per second to number of excited molecules, both measured in the same discharge. We measure...
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