Total π-Electron Energy of Conjugated Molecules with Non-bonding Molecular Orbitals
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Ivan Gutman
Abstract
Lower and upper bounds for the total π-electron energy are obtained, which are applicable to conjugated π-electron systems with non-bonding molecular orbitals (NBMOs). These improve the earlier estimates, in which the number of NBMOs has not been taken into account.
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©2016 by De Gruyter
Artikel in diesem Heft
- Frontmatter
- Soliton, Breather, and Rogue Wave for a (2+1)-Dimensional Nonlinear Schrödinger Equation
- The Modified Simple Equation Method, the Exp-Function Method, and the Method of Soliton Ansatz for Solving the Long–Short Wave Resonance Equations
- Application of the Reverberation-Ray Matrix to the Non-Fourier Heat Conduction in Functionally Graded Materials
- Rational Solutions for Lattice Potential KdV Equation and Two Semi-discrete Lattice Potential KdV Equations
- Structural, Electronic, Magnetic and Optical Properties of Ni,Ti/Al-based Heusler Alloys: A First-Principles Approach
- Ab Initio Calculations on the Structural, Mechanical, Electronic, Dynamic, and Optical Properties of Semiconductor Half-Heusler Compound ZrPdSn
- Qualitative Behaviour of Generalised Beddington Model
- Studying Nuclear Level Densities of 238U in the Nuclear Reactions within the Macroscopic Nuclear Models
- Total π-Electron Energy of Conjugated Molecules with Non-bonding Molecular Orbitals
- Investigation of Thermal Expansion and Physical Properties of Carbon Nanotube Reinforced Nanocrystalline Aluminum Nanocomposite
- Bistable Bright Optical Spatial Solitons due to Charge Drift and Diffusion of Various Orders in Photovoltaic Photorefractive Media Under Closed-Circuit Conditions
- Application of a Differential Transform Method to the Transient Natural Convection Problem in a Vertical Tube with Variable Fluid Properties
Artikel in diesem Heft
- Frontmatter
- Soliton, Breather, and Rogue Wave for a (2+1)-Dimensional Nonlinear Schrödinger Equation
- The Modified Simple Equation Method, the Exp-Function Method, and the Method of Soliton Ansatz for Solving the Long–Short Wave Resonance Equations
- Application of the Reverberation-Ray Matrix to the Non-Fourier Heat Conduction in Functionally Graded Materials
- Rational Solutions for Lattice Potential KdV Equation and Two Semi-discrete Lattice Potential KdV Equations
- Structural, Electronic, Magnetic and Optical Properties of Ni,Ti/Al-based Heusler Alloys: A First-Principles Approach
- Ab Initio Calculations on the Structural, Mechanical, Electronic, Dynamic, and Optical Properties of Semiconductor Half-Heusler Compound ZrPdSn
- Qualitative Behaviour of Generalised Beddington Model
- Studying Nuclear Level Densities of 238U in the Nuclear Reactions within the Macroscopic Nuclear Models
- Total π-Electron Energy of Conjugated Molecules with Non-bonding Molecular Orbitals
- Investigation of Thermal Expansion and Physical Properties of Carbon Nanotube Reinforced Nanocrystalline Aluminum Nanocomposite
- Bistable Bright Optical Spatial Solitons due to Charge Drift and Diffusion of Various Orders in Photovoltaic Photorefractive Media Under Closed-Circuit Conditions
- Application of a Differential Transform Method to the Transient Natural Convection Problem in a Vertical Tube with Variable Fluid Properties
