Analysis of Chemical Phenomena by Solving the Constrained Hartree-Fock Equation. III. Influence of Geometry Change on the Energy of π Electrons in Conjugated Hydrocarbons
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概要
- 論文の詳細を見る
- Chemical Society of Japanの論文
- 1997-04-15
著者
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ICHIKAWA Hiroshi
Hoshi College of Pharmacy
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KAGAWA Hirotaka
Hoshi College of Pharmacy
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Ichikawa Hiroshi
Hoshi College Of Phamacy
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Kagawa Hirotaka
Hoshi College of Phamacy
関連論文
- Interpretation of 'π Energy'and Its Linear Additivity in Polyenes
- A Reason of Linear Additivity of 'π Energy' in Polyenes
- In-Bond Orbitals: A Comprehensive Graphical Expression of Orbital Interaction
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- Structures and Fragmentations of Protonated Benzene and Its Derivatives. II.
- Analysis of Chemical Phenomena by Solving the Constrained Hartree-Fock Equation. II. Relationship between π-Electronic Structure and Its Energy in Benzene
- Analysis of Chemical Phenomena by Solving the Constrained Hartree-Fock Equation. III. Influence of Geometry Change on the Energy of π Electrons in Conjugated Hydrocarbons
- Relationship between the π-Electron Distribution and the Symmetry of Cyclic C_6H_6 Systems
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- Vertical Ionization Energies of Radicals by the Unrestricted MINDO/3 Method
- Potential Energy Curves of Dissociation and Changes of Unpaired Electron in the C-N and C-C Cleavages of the Ground-State Ethylamine Ion
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- Basis set dependency of molecular electronic structures.
- Roles of kinetics and potential energies in conjugation. I. A study of prototypes.
- Potential energies of rotation of double bond in ethylene molecule and ion.
- An MO Approach to the Interpretation of Organic Mass Spectra. I. Relative Bond Energy of the Molecule Ion by the Extended Hückel Method
- Ionization Potentials of Radicals as Determined by the Unrestricted MINDO/2 Method