位置：成果数据库 > 期刊 > 期刊详情页
Potential energy surface survey of Al3H7: borane analogue or not?
  • ISSN号：0026-8976
  • 期刊名称：Molecular Physics
  • 时间：0
  • 页码：1715-1722
  • 语言：英文
  • 相关项目：新型非化学计量分子的理论设计和组装
作者： Ding, Yi-Hong|Shao, Chang-Bin|Fu, Li-Juan|Jin, Lin|
同期刊论文项目
新型非化学计量分子的理论设计和组装
期刊论文 63 会议论文 1
同项目期刊论文
Theoretical Studies of the Interaction of an Open-Ended Boron Nitride Nanotube (BNNT) with Gas Molec
Structures and stability of lithium monosilicide clusters SiLin (n=4-16): What is the maximum number
One-Electron Metal-Metal Bond Stabilized in Dinuclear Metallocenes: Theoretical Prediction of DBe-Li
Theoretical Studies of the Magnetism of the First-Row Adatom on the Silicon Carbide (SiC) Nanotube
Theoretical Study on Isomerization Stability of B4O Molecule
Pentaatomic planar tetracoordinate carbon molecules [XCAl3](q) [(X,q) = (B,-2), (C,-1), (N,0)] with
Theoretical Investigation of the Interaction between Carbon Monoxide and Carbon Nanotubes with Singl
H_2NO~·自由基和顺-2-丁烯反应机理的理论研究
Understanding the Borane Analogy in AlnHn+4 (n=5-19): Unprecedented Stability of a Non-Wade-Mingos C
Zinc (0) chemistry: does the missing 18-electron zinc tricarbonyl really exist?
Theoretical studies of chemisorption of NO2 molecules on SiC nanotube
Is the planar hexacoordinate nitrogen molecule NB6- viable?
Theoretical study of noncovalent functionalization of BN nanotubes by various aromatic molecules
Theoretical Studies on the Structures and Stabilities of [MAl5](+) (M = Si, Ge, Sn, Pb)
A theoretical study on the adsorption of an all-metal aromatic molecule Na2Al4 on MCM-22 zeolite
Theoretical Studies on the Penta-atomic Planar Coordinate Carbon Molecules [CAl3X] and [CAl3X](-) (X
Theoretical studies of chemical functionalization of the (8,0) boron nitride nanotube with various m
Theoretical Studies on the Conversion Mechanism Between Double-substituted Ammonium Oxides(R2HNO) an
Gaseous reaction mechanism between two H2CN radicals
Can Silicon Carbide Nanotubes Sense Carbon Dioxide?
Theoretical Study on Reaction Mechanism of Isocyanate Radical NCO With Ethene
Theoretical Potential Energy Surface Investigation on the [GeCN2]Molecule
[N3MN5](q): A Type of Low-Lying Sandwich-like Isomer on [N8M](q) Hypersurface with (M, q) = (Ni, 0),
eta(3)-Sandwich-Like Complexes Based on the Smallest Polynitrogen Ring
Theoretical Prediction of the N-H and O-H Bonds Cleavage Catalyzed by the Single-Walled Silicon Carb
A theoretical study of the stability of Cu2+ ion in IM-5 zeolite and the interaction of Cu-IM-5 with
Theoretical study of the P-Ylide reaction in the carbon nanotube
A potential energy surface survey of OB6: global minima and isomerization stability
The effects of O-2 and H2O adsorbates on field-emission properties of an (8,0) boron nitride nanotub
Theoretical Study on the Sandwich-like Compounds Containing the Planar Tetracoordinate Carbon Unit C
Structures and Energetics of AlnHn2- (5 <= n <= 12) and AlnHn+2 (4 <= n <= 12): Are Alan
Theoretical study of the transition metal ring functionalized tips of open-ended (5,5) boron nitride
Theoretical study on reactions of cyclic-N-3 with NO, NO2 and Cl-2
Theoretical study of B3O radical isomers and their interconversion pathways
Theoretical Study on the Reactions of the Cyclic Trinitrogen Radical toward Oxygen and Water
Theoretical investigation of the divacancies in boron nitride nanotubes: Properties and surface reac
Stability of N-4(2-)-Based Sandwich-Like Energetic Complexes [N4TiN4](2-): Effect of Spins and Count
SnCNN: A Molecule Containing Sn C Bond
Achieving stable hyperearbon CB62--based cluster-assembled complexes: A general strategy
Sandwich-like compounds based on bare all-boron cluster B-6(2-)
PbCNN:一个包含Pb≡C键的分子
开环茂金属成环及氢分子消除反应机理的理论研究
硼取代后氨化处理的分子筛碱性的理论研究
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
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
直线型l-CnH（n=5,6）自由基与氧气反应机理的理论研究
SnAl4-和PbAl4-：新型平面四配位分子
Sn和Pb单掺杂Al4小团簇的理论研究