位置：成果数据库 > 期刊 > 期刊详情页
Theoretical studies on heats of formation of pyride N-oxides using density functional theory and com
  • 期刊名称：Journal of Theoretical and Computational Chemistry
  • 时间：0
  • 页码：541-549
  • 语言：中文
  • 相关项目：啁啾微波场中里德堡碱原子布居数相干迁移研究
作者： Zhang Rui-Zhou|Zhang Xian-Zhou|Li Xiao-Hong|Tang Zheng-Xin |
同期刊论文项目
啁啾微波场中里德堡碱原子布居数相干迁移研究
期刊论文 69
同项目期刊论文
Population Transfer Via Adiabatic Passage In The Rydberg Potassium Atom
Quantum key distribution series network protocol with M-classical Bobs
The solvent and substituent effects on bond dissociation energies of NO-donor molecules containing t
Natural Bond Orbital Analysis of Some S-Nitrosothiols Biological Molecules
The theoretical study on the potential energy curve for X-3 Delta state of TiO molecule
Laser pulse design for coherent control of Rydberg lithium atoms
Computaional study of imidazole derivative as high energetic materials.
Density functional theory study of several nitrotriazole derivatives
Theoretical investigation of the elastic, electronic, thermodynamic and optical properties of the zi
Si2O2 molecule：structure of ground state and the excited properties under external electric fields
外电场作用下Si2O分子的激发特性
The spectroscopic, NMR analysis of 1- (2,6-Dichloro-4-nitrophenyl) -5- amino -4-cyanopyrazole by ab
Coverage effects on the adsorption of sulfur on Co(0001): A DFT study
外电场作用下TiO光激发特性研究
The spectroscopic, NMR analysis of 1-(2,6-Dichloro-4-nitrophenyl)-5-amino-4-cyanopyrazole by ab init
Natural bond orbital (NBO) population analysis of some benzyl nitrites
Coherent population transfer in four-level ladder systems by single frequency-chirped laser pulse
Lithium atom population transfer by population trapping in a chirped microwave pulse
Natural bond orbital (NBO) population analysis of para-substituted S- Nitroso-thiophenols
The heats of formation in a series of nitroester energetic compounds: A theoretical study
Molecular structure, IR spectra of 2-mercaptobenzothiazole and 2- mercaptobenzoxazole by density fun
外电场作用下二氧化硅分子的光激发特性研究
Theoretical studies on bond dissociation energies for some pyridine N-oxide biological compounds by
Theoretical study of the local structure for Mn2+ in the K2MgF4:Mn2+ system.
Coherent Control of Population Transfer in Lithium Atoms via Chirped Microwave Pulses
Theoretical Study of Elastic Properties of Tungsten Disilicide
PCM study of bond dissociation energies in N-nitroso compounds
Pseudo-potential investigations of structural, elastic and thermal properties of tungsten disilicide
A DFT study of bond dissociation energies of several alkyl nitrate and nitrite compounds
Numerical exploration of population transfer of Rydberg-atom by single frequency-chirped laser pulse
Theoretical study of the N-NO2 bond dissociation energies for energetic materials with density funct
超高斯啁啾激光脉冲中里德堡钾原子的相干激发
Optical Generation of Single- or Two- Mode Excited Entangled Coherent States
A test of empirical correction to site preference: DFT calculations for CO adsorption on Co(0001) su
K2MgF4:Mn2+体系局域结构的理论研究
BH分子X1∑+和B1∑+态的理论研究
硝酸酯含能材料中O-N键离解能的计算
二氧化钛分子电致发光激发特性研究
啁啾微波场中里德伯锂原子的相干激发与控制
外电场作用下Si_2O分子的激发特性
啁啾微波场中里德伯钠原子高激发态的布居跃迁
SeH2分子的结构与从头计算
基于抛料机轴-圆盘转动机构的研究
外电场作用下MgF2电子结构特性研究
Co（0001）表面S原子对CO分子吸附性质的影响
外电场作用下Si3O3分子的基态结构及激发特性
AlF(X~1∑~+)基态的谐振频率与势能函数
过渡金属M（V,Cr,Mn）掺杂ZnS的电子结构和光学性质
分子中C-C键离解能的密度泛函研究(英文)
Laser pulse design for coherent control of Rydberg lithium atoms
K2MgF4：Mn^2＋体系局域结构的理论研究
取代氯苯化合物的C-Cl键离解能的密度泛函研究
巯基化合物键离解能的密度泛函和CBS—Q方法研究
4H-甲基咪唑苯二氮HIV-1抑制剂的定量构效关系研究
密度泛函理论研究S-亚硝基硫醇化合物中S—NO的键离解能的取代基效应
超高斯啁啾脉冲中里德堡钾原子的相干激发
用光谱和EPR谱研究稀释掺杂晶体的微观局域结构
分子中C—C键离解能的密度泛函研究
取代氯苯化合物的电子结构和键离解能的理论研究
锂原子的高激发态能级计算及其在微波场中的布居动力学过程
应用CASSCF方法精确计算OH分子A2∑＋态势能曲线
The theoretical study on the potential energy curve for X^3△ state of TiO molecule
频率啁啾激光场中锂原子的激发与态囚禁
频率啁啾脉冲下里德堡锂原子量子态布居跃迁
BeC、BeC2分子的结构与势能函数
Population coherent control of a Rydberg sodium atom in a microwave field
Population coherent control of Rydberg potassium atom via adiabatic passage