## Abstract In this second part, the authors study the convergence of the iterative procedures based on the stepwise coupling methods in the second order case: especially the Eigenvector Method of H. J. BECHER and R. MATTES and the Matrix Polynomial Expansion Method of A. ALIX. It is shown that und
โฆ LIBER โฆ
The Study of Nitrenes by Theoretical Methods
โ Scribed by Nina P. Gritsan; Matthew S. Platz; Weston Thatcher Borden
- Publisher
- John Wiley and Sons
- Year
- 2006
- Weight
- 8 KB
- Volume
- 37
- Category
- Article
- ISSN
- 0931-7597
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โฆ Synopsis
Abstract
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The conformational potential energy surface as a function of the two internal torsion angles in C-nitrosomethanol has been obtained using the semiempirical AM1 method. Optimized geometries are reported for the local minima on this surface and also for the corresponding points on the HF/6-31G, 6-31G\