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Chemical behavior of polycyanoacetylene radicals on gaseous and ice water: A computational perspecti
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相关项目:环境和材料化学中重要分子自由基及离子的结构与反应机理的理论研究
同期刊论文项目
环境和材料化学中重要分子自由基及离子的结构与反应机理的理论研究
期刊论文 70
同项目期刊论文
Theoretical study on the assembly and stabilization of a silicon-doped all-metal aromatic unit SiAl3
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Theoretical study on the methyl radical with chlorinated methyl radicals CH3-nCln (n=1, 2, 3) and CC
Design of sandwichlike complexes based on the planar tetracoordinate carbon unit CAl42-
Theoretical study on the assembly and stabilization of a magic cluster Al4N-
Gaseous reaction mechanism of C2F radical with water
REACTION MECHANISM OF THE CCN RADICAL WITH NITROGEN DIOXIDE
Reaction mechanism of oxygen atoms with cyanoacetylene in the gas phase and on water ice
Reaction mechanism of the CCN radical with nitric oxide
monosilicon-substituted cyanoacetylene: A computational study
Ylidic radical-molecule reactions
Radical reaction C3H+NO: A mechanistic study
Theoretical study on structures and stabilities of [H,Ge,C,N]
Mechanism of the radical reaction between C3H5 and NO
Assembly and stabilization of a planar tetracoordinated carbon radical CAl3Si: A way to design spin-
Theoretical mechanistic study on the radical-molecule reactions of cyanomethylidyne with PH3, H2S, a
Ylidic radical reactivity towards ethylene and acetylene
Planar carbon radical's assembly and stabilization, a way to design spin-based molecular materials
Theoretical study of the Si2NO potential energy surface
An ignored but most favorable channel for NCO+C2H2 reaction
The Si-doped planar tetracoordinate carbon (ptC) unit CAl3Si? could be used as a building block or i
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Sandwich-like compounds based on the all-metal aromatic unit Al-4(2-) and the main-group metals M (M
Investigation of the typical triangular structure B-3 in boron chemistry: Insight into bare all-boro
CAl4X (X equivalent to Si,Ge): Molecules with simultaneous planar tetracoordinate carbon, aluminum,
The Effects of O2 and H2O Adsorbates on Field-Emission Properties of an (8,0) Boron Nitride Nanotube
A theoretical study of the stability of Cu2+ ion in IM-5 zeolite and the interaction of Cu-IM5 with
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Does P-Ylidic radical feature the Ylidic or radical character toward formaldehyde
The Si-doped planar tetracoordinate carbon (ptC) unit CAl3Si?could be used as a building block or in
Theoretical investigation on potential energy surface of CSiNP molecule
Cyanomethylidyne: A reactive carbyne radical
Design of the Sandwich-like Compounds Based on the All-Metal Aromatic Unit Al31-
Reaction of ketenyl radical with acetylene: A promising route for cyclopropenyl radical
Achieving Stable Hypercarbon CB62?-Based Cluster-Assembled Complexes: A General Strategy
Sandwich-like compounds based on bare all-boron cluster B62
Cluster-assembled compounds comprising an all-metal subunit Li3Al4-
Silicon carbide nanotubes functionalized by transition metal atoms: A density-functional study
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One-Electron Metal?Metal Bond Stabilized in Dinuclear Metallocenes: Theoretical Prediction of DBe-Li
Chemical Functionalization of Single-Walled Carbon Nanotubes (SWNTs) by Aryl Groups: A Density Funct
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Theoretical study of the interactions of carbon monoxide with Rh-decorated (8,0) single-walled carbo
CSi2Ga2: a neutral planar tetracoordinate carbon (ptC) building block
Theoretical Study of the Encapsulation of Li2Al4 Inside the Zigzag Single-Walled Carbon Nanotubes (S
Theoretical Study of Ni Adsorption on Single-Walled Boron Nitride Nanotubes with Intrinsic Defects
Theoretical study on a class of organometallic complexes based on all-metal aromatic Ga-3(-) through
Theoretic study of the reaction mechanism between (Me)3CO? radical and trans -3-hexene
Structures and stability of lithium monosilicide clusters SiLin (n = 4-16): What is the maximum numb
(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
Theoretic study of the reaction mechanism between (Me)3CO· radical and trans-3-hexene