首页> 美国政府科技报告 >MINDO/3 Comparison of the Generalized S.C.F. Coupling Operator and 'Half-Electron' Methods for Calculating the Energies and Geometries of Open Shell Systems

【24h】

MINDO/3 Comparison of the Generalized S.C.F. Coupling Operator and 'Half-Electron' Methods for Calculating the Energies and Geometries of Open Shell Systems

机译：mINDO / 3广义s.C.F.的比较耦合算子和“半电子”方法计算开壳系统的能量和几何

获取原文

页面导航

摘要
著录项
相似文献
相关主题

摘要

No abstract available.

著录项

作者
Dewar, M. J. S.; Olivella, S.;
展开▼
作者单位

展开▼
年度 1978
页码 p.1-13
总页数 13
原文格式 PDF
正文语种 eng
中图分类工业技术;
关键词
Molecular orbitals; Quantum chemistry; Wave functions; Excitation; Ground state; Heat of formation; Computations; Chemical radicals; Reprints;

机译：分子轨道;量子化学;波函数;激发;基态;形成热;计算;化学自由基;重印;

相似文献

外文文献
中文文献
专利

1. Methods for Calculating Shear Stress at the Wall for Single-Phase Flow in Tubular, Annular, Plate, and Shell-Side Heat Exchanger Geometries [J] . Christopher A. Bennett, Robert P. Hohmann Heat Transfer Engineering . 2017,第9a12期

机译：管状，环形，板状和壳侧换热器几何结构中单相流动壁处的切应力计算方法
2. Accuracy of Energy Analysis of Buildings: A Comparison of a Monthly Energy Balance Method and Simulation Methods in Calculating the Energy Consumption and the Effect of Thermal Mass [J] . Timo Kalema, Gudni Johannesson, Petri Pylsy, Journal of building physics . 2008,第2期

机译：建筑物能量分析的准确性：计算能量消耗和热质量影响的月度能量平衡方法与模拟方法的比较
3. An improved, generalized effective thermal conductivity method for rapid design of high temperature shell-and-tube latent heat thermal energy storage systems [J] . Tehrani S. Saeed Mostafavi, Shoraka Yashar, Diarce Gonzalo, Renewable energy . 2019,第MARa期

机译：一种改进的广义有效导热系数方法，可快速设计高温管壳式潜热热能存储系统
4. Method for calculating walking tractor performance considering operator's energy consumption [C] . S I Ovsyannikov International Conference on Mechanical Engineering, Automation and Control Systems . 2018

机译：考虑操作员能源消耗计算步行拖拉机性能的方法
5. Quantum mechanical methods for calculating proton tunneling splittings and proton-coupled electron transfer vibronic couplings [D] . Skone, Jonathan H. 2008

机译：计算质子隧穿裂隙和质子耦合电子传递振动耦合的量子力学方法
6. Methods for Calculating the Absolute Entropy and free energy of biological systems based on ideas from Polymer Physics [O] . Hagai Meirovitch -1

机译：基于聚合物物理学的思想计算生物系统绝对熵和自由能的方法
7. A Remark on the Comparison between the Roothaan Open Shell and Half-Electron Method [O] . P. Čársky, R. Zahradnik 1974

机译：关于罗托安开壳和半电子法比较的备注

MINDO/3 Comparison of the Generalized S.C.F. Coupling Operator and 'Half-Electron' Methods for Calculating the Energies and Geometries of Open Shell Systems

摘要

著录项

相似文献

相关主题

期刊订阅