The non-covalent functionalisation of carbon nanotubes studied by density functional and semi-empirical molecular orbital methods including dispersion corrections.
about
Design and Synthesis of Non-Peptide Mimetics Mapping the Immunodominant Myelin Basic Protein (MBP83-96) Epitope to Function as T-Cell Receptor Antagonists.Explicit polarization: a quantum mechanical framework for developing next generation force fields.Polarized Molecular Orbital Model Chemistry. II. The PMO Method.Quantum mechanical force field for water with explicit electronic polarization.Enhanced semiempirical QM methods for biomolecular interactions.Molecular simulation of CH4/CO2/H2O competitive adsorption on low rank coal vitrinite.Fast and accurate computational modeling of adsorption on graphene: a dispersion interaction challenge.Endohedral and exohedral complexes of substituted benzenes with carbon nanotubes and graphene.The structure and interaction energies of the weak complexes of CHClF2 and CHF3 with HCCH: a test of density functional theory methods.Simulations and experimental investigations of the competitive adsorption of CH4 and CO2 on low-rank coal vitrinite.
P2860
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P2860
The non-covalent functionalisation of carbon nanotubes studied by density functional and semi-empirical molecular orbital methods including dispersion corrections.
description
2007 nî lūn-bûn
@nan
2007年の論文
@ja
2007年学术文章
@wuu
2007年学术文章
@zh
2007年学术文章
@zh-cn
2007年学术文章
@zh-hans
2007年学术文章
@zh-my
2007年学术文章
@zh-sg
2007年學術文章
@yue
2007年學術文章
@zh-hant
name
The non-covalent functionalisa ...... luding dispersion corrections.
@en
The non-covalent functionalisa ...... luding dispersion corrections.
@nl
type
label
The non-covalent functionalisa ...... luding dispersion corrections.
@en
The non-covalent functionalisa ...... luding dispersion corrections.
@nl
prefLabel
The non-covalent functionalisa ...... luding dispersion corrections.
@en
The non-covalent functionalisa ...... luding dispersion corrections.
@nl
P2093
P2860
P356
P1476
The non-covalent functionalisa ...... luding dispersion corrections.
@en
P2093
Claudio A Morgado
Ian H Hillier
Jonathan P McNamara
Mark A Vincent
Raman Sharma
P2860
P304
P356
10.1039/B711498B
P407
P577
2007-10-25T00:00:00Z