Electronic Structure of Free-Base and Transition-Metal Tetraazaporphy rins

Keyphrases

• Electronic Structure 100%
• Optical Transitions 100%
• Base-free 100%
• Tetraazaporphyrin 100%
• Metal-free 50%
• Charge Distribution 50%
• Transition State 50%
• Binding Energy 50%
• Electron Density Map 50%
• Hartree-Fock 50%
• Spin Density 50%
• Photoelectron 50%
• Atomic Orbitals 50%
• Mulliken 50%
• Density Difference 50%
• Electronic Energy Levels 50%
• Energy Charge 50%
• Spectroscopic Characteristics 50%
• Electron Binding Energy 50%
• Energy Level Distribution 50%
• Semi-empirical Calculations 50%
• Porphine 50%
• Orbital Population Analysis 50%
• Contour Map 50%
• Extended Hückel 50%
• Bonding Feature 50%
• Hückel Model 50%

Chemistry

• Electronic State 100%
• Optical Transition 100%
• Base 100%
• Transition Metal 100%
• Transition State 50%
• Atomic Orbital 50%
• Electron Binding Energy 50%
• Extended Huckel 50%
• Electron Energy Level 50%
• Charge Distribution 50%
• Binding Energy 50%
• Electron Density 50%
• Photoelectron 50%

Material Science

• Transition Metal 100%
• Density 100%
• Energy Levels 100%
• Carrier Concentration 50%