位置：成果数据库 > 期刊 > 期刊详情页
A Theoretical Study on the Potential Energy Surface of the 3C2 NO Reaction
  • 期刊名称：J. Phys. Chem. A
  • 时间：0
  • 作者或编辑：3448
  • 第一作者所属机构：State Key Laboratory of Theoretical and Computatio
  • 页码：108 (32): 6771 -6777
  • 语言：英文
  • 相关项目：新型小分子及离子的结构与反应机理的理论研究
作者： Zhi-Gang Wei|Xu-Ri Huang|Shao-Wen Zhang|Yan-Bo Sun|Hu-Jun Qian|Chia-Chung Sun|
同期刊论文项目
新型小分子及离子的结构与反应机理的理论研究
期刊论文 80
同项目期刊论文
Potential energy surface study of [H, Si,C,N] and its ions
Ylidic Radical–Molecule Reactions
Radical Reaction C3HNO: A Mechanistic Study
SiC2P: A Promising Molecule with Two Stable Cyclic Isomers
Direct ab initio dynamics study on the rate constants and kinetic isotope effect for the reactions o
Theoretical study on potential energy surface of the C2H2FO radical
Theoretical study on the mechanism of the 1CHCl N2O reaction
Theoretical Study on the Mechanism of the 3CH2 NO2 Reaction
Theoretical Mechanistic Study on the Ion-Molecule Reactions of CCN /CNC with H2S
Theoretical Study on the Mechanists of the 1CHF N2O Reaction
Theoretical study on mechanism of the 3CH2 N2O reaction
Theoretical study on mechanisms of the high-temperature reactions C2H3 H2O and C2H4 OH
Theoretical mechanistic study on the ion-molecule reactions of CCN /CNC with H2O and HCO /HOC with
Theoretical study on structures and stability of HC2P isomers
Theoretical study on the potential energy surface of the reaction of vinyl radical (C2H3.) with hydr
Direct ab initio dynamics and theoretical rate constants studies for hydrogen-abstraction reactions
Direct ab initio dynamics study on the largest methylgermane reaction GeH(CH3)3 H -> Ge(CH3)3 H2
Theoretical study on the mechanism of the 1CHCl NO reaction
Direct ab initio dynamics study on the reaction paths and rate constants of hydrogen atoms with meth
Theoretical Study on Structures and Stability of SiC2S Isomers
Theoretical Study on the Structures and Stability of SiC3P Isomers
Theoretical Study on Structures and Stability of NC3S Isomers
Theoretical Study on Structures and Stabilities of [H3,Si,C,N] Isomers
SiC3N: A Promising Interstellar Molecule with Stable Cyclic Isomers
Theoretical investigation of the potential energy surface of the Si2NP molecule
Theoretical study on potential energy surface of the C2HF2O and C2F3O radicals
Si2CN: A stable nitrogen-containing radical with cyclic ground state
A theoretical study on the potential energy surface of the NCS NO2 reaction
A theoretical study on the potential energy surface of the 3C2 NO2 reaction
C2H H2CO: A new route for formaldehyde removal
Mechanism of HCS O2 reaction: Hydrogen- or oxygen-transfer?
Radical-Molecule Reactions HCO/HOC C2H2: Mechanistic Study
Theoretical Study on Structures and Stability of Si2CP Isomers
Potential energy surface survey towards prediction of a new radical [H2,Si,C,N]
Theoretical Study on the Reaction Mechanism of Vinyl Radical with Formaldehyde
Ion-Molecule Reaction Mechanism of SiCN /SiNC HX (X = H, CH3, F, OH, NH2)
Radical-molecule reactions HCO/HOC C2H4: A mechanistic study
Silanes/oxygen/(water): Green high energy density materials
Theoretical study on germanium cyanide radical GeCN and its ions
A Barrier-Free Nonatomic Radical-Molecule Reaction: CCN CH4
Theoretical mechanistic study on the ion-molecule reaction of SiCN /SiNC with H2O
Radical-molecule reaction C3H H2O: A mechanistic study
Theoretical Study on Stability and Properties of NC2O Isomers
Theoretical Study on Structures and Stability of C4P Isomers
腈炔交叉置换反应的理论研究
【GeCN2】分子异构化势能面的理论研究
SnCNN：一个包含SnC三重键的分子
（Me）3CO·自由基和异-3-己烯反应机理的理论研究
双取代铵氧化物（R2HNO）与双取代羟胺（R2NOH）的相互转换机制的量子化学研究
五原子平面四配位碳分子[CAl3X]和[CAl3X]-（X=Sn,Pb）的理论研究
基于平面四配位碳单元CAl2Si2夹心组装的理论研究
H2NO^.自由基和顺-2-丁烯反应机理的理论研究
双取代铵氧化物（R2HNO）与双取代羟胺（R2NOH）的相互转换机制的理论研究——取代基的电负性和立体效应影响
[MAl5]＋ （M=Si,Ge,Sn,Pb）体系结构和稳定性的理论研究
B_4O分子异构化稳定性的理论研究
人类A3腺苷受体拮抗剂1，2,4-三唑并[1，5-α]喹啉衍生物的QSAR研究
苯砜基羧酸酯类急性毒性的QSAR研究
磺酰脲类化合物除草活性的QSAR研究
金属Ir4簇催化乙烯加氢反应势能面的理论研究
分子动力学研究亚铁血红素激活蛋白转录激活机理
金属Ir4 Cluster催化丙烯加氢反应势能面的密度泛函理论研究
基于区域边界最优映射的图像分割算法
泰山照山白金丝桃苷诱导人乳腺癌细胞的细胞周期阻和凋亡的机制研究
泰山照山白提取物对过氧化损伤的PC12细胞的保护作用
Theoretic study of the reaction mechanism between （Me）3CO· radical and trans-3-hexene
壬基酚对卵巢癌细胞HO8910增殖的影响