Open AccessAn ab initio investigation of boron bonding
Author(s) -
Michael Haag
Publication year - 2012
Language(s) - English
Resource type - Dissertations/theses
DOI - 10.31274/etd-180810-249
Subject(s) - boron , ab initio , materials science , computational chemistry , crystallography , chemistry , organic chemistry
35 Introduction 35 Methods 37 Results 38 Starting Point Structures 39 Fragment Structures 41 Water Intermediate Structures 44 Transition State Structures 46 Endpoint Structures 53 Discussion 62 Structural 62 Reaction Pathways 63 Solvent Effects 66 Transfer thermodynamics 67 Boron-Nitrogen Bond 69 Conclusions 70 References 72
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