Density Functional Theory/Finite Perturbation Theory Calculations of Nuclear Spin−Spin Coupling Constants for Polyhedral Carboranes and Boron Hydrides
Author:
Affiliation:
1. Contribution from the Departments of Chemistry, California State University, Los Angeles, Los Angeles, California 90032, and University of Arizona, Tucson, Arizona 85721
Publisher
American Chemical Society (ACS)
Subject
Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis
Link
https://pubs.acs.org/doi/pdf/10.1021/ja9841097
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1. The structural variations of monomeric alkaline earth MX2 compounds (M = calcium, strontium, barium; X = Li, BeH, BH2, CH3, NH2, OH, F). An ab initio pseudopotential study
2. Application of IGLO and GIAO structure/NMR analyses to a novel isomer of the dicarbaoctaborane(11) anion, [arachno-2,6-C2B6H11]-, prepared from the reaction of closo-1,6-C2B7H9 with fluoride ion
3. Six-vertex nido-carborane structures with unusual CHB bridges or endo-CH hydrogens1Dedicated to Professor Ken Wade on the occasion of his 65th birthday in recognition of his outstanding contributions to organometallic and inorganic chemistry.1
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