Quantum Mechanical Conformational Analysis of Inositols

Quantum Mechanical Conformational Analysis of Inositols

Conformational Analysis of Inositols using DFT, MP2, PCM and MTA methods

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Bio molecules are crucial molecular components of biological systems that are responsible for various functions. These functionalities are intimately linked to their conformational preferences. Inositols studied in this book offer simplistic model systems in which theoretical prediction and their experimental validation can be performed easily. The present book uses computational approaches to study the conformation, structure, stability and hydrogen bonding factors of Inositols and dipeptides. This book consists of three chapters. Chapter 1 provides a brief introduction to the theoretical met...