Quantum Chemistry : Molecules For Innovations Ed. By Tomofumi Tada
by Tomofumi Tada /
2012 / English / PDF
10.1 MB Download
This book is devoted for the theoretical foundations and innovative applications in quantum chemistry - an important theory for the understanding of molecular properties such as stability, reactivity, and applicability for devices. Preface Part 1 Theories in Quantum Chemistry Chapter 1 Numerical Solution of Linear Ordinary Differential Equations in Quantum Chemistry by Spectral Method Chapter 2 Composite Method Employing Pseudopotential at CCSD(T) Level Part 2 Electronic Structures and Molecular Properties Chapter 3 Quantum Chemical Calculations for some Isatin Thiosemicarbazones Chapter 4 Elementary Molecular Mechanisms of the Spontaneous Point Mutations in DNA: A Novel Quantum-Chemical Insight into the Classical Understanding Chapter 5 Quantum Chemistry and Che mo metrics Applied to Conformational Analysis Part 3 Molecules to Nanodevices Chapter 6 Quantum Transport and Quantum Information Processing in Single Molecular Junctions Chapter 7 Charge Carrier Mobility in Phthalocyanines: Experiment and Quantum Chemical Calculations Chapter 8 Theoretical Study for High Energy Density Compounds from Cvclophosphazene
