位置：成果数据库 > 期刊 > 期刊详情页
Theoretical investigation on the interaction of subnano platinum clusters with graphene using DFT me
  • ISSN号：0927-0256
  • 期刊名称：Computational Materials Science
  • 时间：2014.10.17
  • 页码：268-276
  • 相关项目：钙调蛋白调控的L-型电压门控钙通道信号传导机理的研究
作者： Wei Feng|Hongwei Tian|Haixia Xu|Xuri Huang|
同期刊论文项目
钙调蛋白调控的L-型电压门控钙通道信号传导机理的研究
期刊论文 68
同项目期刊论文
Mechanism of benzene hydroxylation by high-valent bare Fe-IV=O2+: explicit electronic structure anal
A Theoretical Study on Activation of C-H and C-Cl Bonds in CH3X (X=H, Cl) by Fe2+
Direct ab initio dynamics study of rate constants and kinetic isotope effects for C-2(A(3)Pi(u)) + C
Theoretical investigation on structures, stability and properties of [P, X, Y] (X=C, Si; Y?=?O, S) i
Molecular simulations study of ligand-release mechanism in an odorant-binding protein from the south
Investigation on Nonlinear Optical Properties of Foreign-atom Doping Boron Nitride Nanotube with Vac
Molecular ChargeTransfer by Adsorbing TCNQ/TTF Molecules via π-π Interaction: a Simple andEffective
Insight into the impact of environments on structure of chimera C3 of human β-defensins2 and 3 from
The structure and large nonlinear optical properties of a novel octupolar electride Li@3(6)Adz
(Super)alkali atoms interacting with the sigma electron cloud: a novel interaction mode triggers lar
DFT Study on Mechanism of N-Alkylation of Amino Derivatives with Primary Alcohols Catalyzed by Coppe
Molecular Dynamics Simulation Study on the Effect of Mutant(Met108-Leu108) on Interactions Between A
MOLECULAR SIMULATIONS OF NEOCARZINOSTATIN CHROMOPHORE RELEASE MECHANISM
The structure and large nonlinear optical properties of an novel octupolar electride Li@3(6)Adz
Dihalogen Edge-Modi？cation: an E？ective Approach to Realize the Half-Metallicity and Metallicity in
Origins of Selective C(sp(2))-H Activation Using Transition Metal Complexes with N,N-Bidentate Direc
Evaporation-induced Morphology Pattern of Triblock Copolymer A(5)B(10)C(5) in Thin Film: a Multibody
Theoretical investigation on the reaction of HS+ with CH3NH2
Introducing the Triangular Defect to Effectively Engineer the Wide Band Gap of Boron Nitride Nanorib
Theoretical Study on Second-order Nonlinear Optical Response of Lithiation Boron Nitride Nanotube
Theoretical Study on Mechanism of Cinchona Alkaloids Catalyzed Asymmetric Conjugate Addition of Dime
Multifunctional Polymer Mach-Zehnder Optical Switch/Filter Using Side-Coupled M X N Electrooptic Mic
A computational mechanistic study of pH-dependent alcohol dehydrogenation catalyzed by a novel [C,N]
Molecular simulations study of novel 1,4-dihydropyridines derivatives with a high selectivity for Ca
Hydrogen generation from alcohols (α-hydroxy carboxylic acids) and alcohol–ammonia coupling in aqueo
A First-PrinciplesInvestigation on the Effect of the Divacancy Defect on the Band Structures ofBoron
Molecular chargetransfer via π–π interaction: an e？ectiveapproach to realize the half-metallicity an
Dihalogen edge-modification: an effective approach to realize the half-metallicity and metallicity i
C4H（2Σ~＋）＋H2反应机理的直接动力学研究
Fe＋与CH3X（X=Cl,Br,I）反应的理论研究
Fe（2＋）活化CH_3X（X=H,Cl）中C—H,C—Cl键的理论研究
杂原子掺杂的含单空位缺陷BN纳米管的非线性光学性质
锂化硼氮纳米管的二阶非线性光学理论研究
分子动力学模拟研究点突变(Met108→Leu108)对树胶醛糖结合蛋白与配体作用的影响
Structures and Nonlinear Optical Properties of Lithium-adsorbed Polycyclic π-Conjugated Pentacene Systems
碱金属原子吸附PPV及其衍生物体系的结构和非线性光学性质的理论研究
表面吸附碱金属原子的超短碳纳米管体系的结构和非线性光学性质
给／受体基团修饰的含5-9缺陷Zigzag碳纳米条带体系的非线性光学性质
9-氨基奎宁催化剂催化1-溴代硝基甲烷和亚苄基丙酮的共轭加成反应的理论研究