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The Electrocyclic Ring Opening of 1- and 2- Azabicyclo(2.2.0) hexa-2, 5 dienes: MNDO (Modified Neglect of Diatomic Overlap) Molecular Orbital Calculations

机译：1-和2-氮杂双环（2.2.0）hexa-2,5二烯的电环开环：mNDO（改性忽略双原子重叠）分子轨道计算

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Ford, G. P.; Dewar, M. J. S.; Ritchie, J. P.; Rzepa, H. S.;
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年度 1977
页码 p.1-4
总页数 4
原文格式 PDF
正文语种 eng
中图分类工业技术;
关键词
Molecular orbitals; Diatomic molecules; Hexenes; Dienes; Computations; Reprints;

机译：分子轨道;双原子分子;己烯;二烯;计算;重印;

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1. NEGLECT OF DIATOMIC DIFFERENTIAL OVERLAP IN NONEMPIRICAL QUANTUM CHEMICAL ORBITAL THEORIES .1. ON THE JUSTIFICATION OF THE NEGLECT OF DIATOMIC DIFFERENTIAL OVERLAP APPROXIMATION [J] . Neymeyr K., Seelig FF. International Journal of Quantum Chemistry . 1995,第5期

机译：非量子量子化学轨道理论中电离微分重叠的忽略1。关于电导微分重叠逼近的忽略的正当性
2. NEGLECT OF DIATOMIC DIFFERENTIAL OVERLAP IN NONEMPIRICAL QUANTUM CHEMICAL ORBITAL THEORIES .1. ON THE JUSTIFICATION OF THE NEGLECT OF DIATOMIC DIFFERENTIAL OVERLAP APPROXIMATION [J] . Neymeyr K., Seelig FF. International Journal of Quantum Chemistry . 1995,第5期

机译：非量子量子化学轨道理论中电离微分重叠的忽略1。关于电导微分重叠逼近的忽略的正当性
3. NEGLECT OF DIATOMIC DIFFERENTIAL OVERLAP IN NONEMPIRICAL QUANTUM CHEMICAL ORBITAL THEORIES .4. AN EXAMINATION OF THE JUSTIFICATION OF THE NEGLECT OF DIATOMIC DIFFERENTIAL OVERLAP (NDDO) APPROXIMATION [J] . Neymeyr K. International Journal of Quantum Chemistry . 1995,第5期

机译：非量子量子化学轨道理论中电离微分重叠的忽略.4。电离微分重叠（NDDO）近似的正当性检验
4. FINITE-PERTURBATION INTERMEDIATE - NEGLECT - OF - DIFFERENTIAL - OVERLAP MOLECULAR ORBITAL CALCULATIONS OF NUCLEAR MAGNETIC RESONANCE SPIN-SPIN COUPLING CONSTANTS FOR POLYCYCLIC AROMATIC HYDROCARBONS AND AROMATIC NITROGEN HETEROCYCLICS (FERMI CONTACT, QUA [D] . LONG, SHEILA ANN THIBEAULT. 1985

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5. Evaluation of Density Functionals SCC-DFTB Neglect of Diatomic Differential Overlap (NDDO) Models and Molecular Mechanics Methods for Prolyl-Leucyl-Glycinamide (PLG) and Structural Derivatives [O] . Richard L. Wood, Brendan J. Young-Dixon, Abhrajeet Roy, -1

机译：对密度函数SCC-DFTB疏忽抗硅藻差分重叠（NDDO）模型及其具有衍生物的分子力学方法的评价
6. Hubungan kuantitatif-struktur aktivitas senyawa vinkadiformina dan turunannya sebagai senyawa antimalaria berdasarkan parameter teoretis hasil perhitungan semiempiris Modified Neglect of Diatomic Overlap MNDO [O] . Yanuarti Dominika Anny 2007

机译：基于修正的双原子重叠MNDO的半经验计算结果的理论参数，金刚甲胺化合物及其衍生物作为抗疟化合物的活性结构的定量关系
7. Electrocyclic Ring Opening of 1 Alpha, 4 Alpha-and 1 Alpha, 4 Beta-Bicyclo(2.2.0)Hexa-2,5-Dienes ('Cis' and 'Trans' Dewar Benzenes): MNDO (Modified Neglect of Diatomic Overlap)Semiempirical Molecular Orbital Calculations. [R] . Dewar, M. J. S., Ford, G. P., Rzepa, H. 1977

机译：1 alpha，4 alpha和1 alpha，4 Beta-Bicyclo（2.2.0）Hexa-2,5-Dienes（'Cis'和'Trans'Dewar Benzenes）的电环开环：mNDO（改为忽略双原子重叠）半经验分子轨道计算。

The Electrocyclic Ring Opening of 1- and 2- Azabicyclo(2.2.0) hexa-2, 5 dienes: MNDO (Modified Neglect of Diatomic Overlap) Molecular Orbital Calculations

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