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An ab initio Study on the Structural and Bonding Properties of Li2Si3O7
期刊名称:Chinese J. Struct. Chem.
时间:0
页码:414-420
相关项目:低温下多孔储氢材料表面吸附特性动力学的理论研究
作者:
Xu,Lianjun|Wu,Weidong|KWAN,Wengkin|Zhang,Hong|
同期刊论文项目
低温下多孔储氢材料表面吸附特性动力学的理论研究
期刊论文 55
会议论文 4
同项目期刊论文
Hydrogen Adsorption on Ti Decorating Benzene Grafted Tetrahydrido-silsequioxanes
Diffusion Monte Carlo Study of Bond Dissociation Energies for BH2, B(OH)2, BCl2, and BCl
GCMC Investigation on Adamantane-based Aromatic Frameworks with Diamond-like Structure as High-capac
Hydrogen adsorption on Ti containing organometallic structures grafted on silsesquioxanes
First-principles study of the structural and electronic properties of the cubic Zr3N4 under high pre
Diffusion monte carlo study of the hydrogen molecules adsorbed on C4H3Li
Photoabsorption Spectra of (SiO2)(n) (n <= 5) Clusters on the Basis of Time-Dependent Density Fun
Density Functional Theory and Grand Canonical Monte Carlo Simulations of the Hydrogen Storage Proper
Superfluidity, quantum localization of para-H2 clusters and ortho-D2 clusters
Theoretical study of the band gap of SrS in GW approximation
A time-dependent density functional theory investigation of plasmon resonances of linear Au atomic c
DFT Investigation on the Co-adsorption of H2 and Ions inside the Carbon Nanotube
A DFT Investigation on the Co-adsorption of H-2 and Ions inside the Carbon Nanotube
Photoexfoliation of Graphene from Graphite: An Ab Initio Study
A low coverage investigation on Al adsorption on the (111) surface of Pt, Ir and Au
A DFT Investigation on Hydrogen Adsorption Based on Alkali-metal Organic Complexes
MOLECULAR DYNAMIC SIMULATIONS OF SOLID NITROMETHANE UNDER HIGH PRESSURES
A first-principles investigation into the hydrogen bond interaction in β-HMX
First-Principles Simulations of Chemical Reactions in an HCl Molecule Embedded inside a C or BN Nano
Spectroscopic investigations on NO+(X-1 Sigma(+), a(3)Sigma(+), A(1)Pi) ion using multi-reference co
A DFT study on the interaction between europium, uranium and SWCNT
The Micro-structural Studies of Ni-BaTiO3 Nanocomposite Films by TEM and EELS
Surface chemistry and growth mechanisms studies of homo epitaxial (100) GaAs by laser molecular beam
Modulation of alternating electric ?eld inside photoexcited carbon nanotubes
First-principles study of the structural and electronic properties of VB2 under high pressure
DFT study of dihydrogen interactions with lithium containing organic complexes C4H4–mLim and C
ReaxFF MOLECULAR DYNAMICS STUDY OF INITIAL MECHANISM OF JP-10 COMBUSTION
Phase transition and chemical decomposition of shocked CO-N2 mixture
Plasmons in graphene nanostructures
Boundary Effect on the Adsorption Properties of H2 on Charged MgCaHb Complex
First principles study on magnetic and electronic properties with rare-earth atoms doped SWCNTs
Organometallic-complex-grafted adamantane as novel hydrogen-storage material: A first principles com
Ab initio Simulation of Helium-Ion Microscopy Images: The Case of Suspended Graphene
Adsorption and separation of methane/hydrogen in octaphenylsilsesquioxane based covalently-linked or
Graphene production by laser shot on graphene oxide: An ab initio prediction
Quantum mechanical study on plasmon resonances in small ring clusters
GCMC investigation into adamantane-based aromatic frameworks with diamond-like structure as high-cap
Reactive Molecular Dynamics Simulation of Solid Nitromethane Impact on (010) Surfaces Induced and No
Collectivity of plasmon excitations in small sodium clusters with planar structure
仲氢及正氘团簇的量子定域和超流动性研究
Al吸附在Pt,Ir和Au的(111)面的低覆盖度研究
The KLL dielectronic recombination processes for highly charged krypton, iodine and barium ions