Frontiers of Chemistry in China
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407

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14

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Published By Springer-Verlag

1673-3614, 1673-3495

Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Electronic band structure from first-principles Green’s function approach: theory and implementations

Frontiers of Chemistry in China ◽

10.1007/s11458-011-0261-6 ◽

2011 ◽

Vol 6 (4) ◽

pp. 253-268

Author(s):

Hong Jiang

Keyword(s):

Band Structure ◽

Green’S Function ◽

Green's Function ◽

First Principles ◽

Electronic Band Structure ◽

Function Approach ◽

Electronic Band ◽

Approach Theory

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Surface-enhanced Raman scattering (SERS) based on surface plasmon resonance coupling techniques

Frontiers of Chemistry in China ◽

10.1007/s11458-011-0258-1 ◽

2011 ◽

Vol 6 (4) ◽

pp. 341-354 ◽

Author(s):

Shuping Xu ◽

Yu Liu ◽

Haibo Li ◽

Weiqing Xu

Keyword(s):

Surface Plasmon Resonance ◽

Raman Scattering ◽

Surface Plasmon ◽

Plasmon Resonance ◽

Surface Enhanced Raman Scattering ◽

Surface Enhanced ◽

Coupling Techniques ◽

Surface Enhanced Raman ◽

Resonance Coupling ◽

Enhanced Raman Scattering

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Theoretical study on the hydration of hydrogen peroxide in terms of ab initio method and atom-bond electronegativity equalization method fused into molecular mechanics

Frontiers of Chemistry in China ◽

10.1007/s11458-011-0259-0 ◽

2011 ◽

Vol 6 (4) ◽

pp. 287-299 ◽

Author(s):

Chunyang Yu ◽

Lidong Gong ◽

Zhongzhi Yang

Keyword(s):

Hydrogen Peroxide ◽

Ab Initio ◽

Molecular Mechanics ◽

Theoretical Study ◽

Ab Initio Method ◽

Electronegativity Equalization ◽

Electronegativity Equalization Method ◽

Atom Bond ◽

Equalization Method

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ZnO nanorod arrays: Dependence of morphology upon ammonia

Frontiers of Chemistry in China ◽

10.1007/s11458-011-0260-7 ◽

2011 ◽

Vol 6 (4) ◽

pp. 355-357

Author(s):

Yu Xie ◽

Dan Liu ◽

Ming Gao ◽

Ru Tan ◽

Yan Wang ◽

...

Keyword(s):

Zno Nanorod ◽

Nanorod Arrays ◽

Zno Nanorod Arrays

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Calculations of ionization energies and electron affinities for atoms and molecules: A comparative study with different methods

Frontiers of Chemistry in China ◽

10.1007/s11458-011-0256-3 ◽

2011 ◽

Vol 6 (4) ◽

pp. 269-279 ◽

Author(s):

Neil Qiang Su ◽

Igor Ying Zhang ◽

Jianming Wu ◽

Xin Xu

Keyword(s):

Comparative Study ◽

Electron Affinities ◽

Ionization Energies ◽

Atoms And Molecules

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Preparation of polymer nanoparticles, and the effect of nanoconfinement on glass transition, structural relaxation and crystallization

Frontiers of Chemistry in China ◽

10.1007/s11458-011-0262-5 ◽

2011 ◽

Vol 6 (4) ◽

pp. 332-340 ◽

Author(s):

Rong Chen ◽

Dinghai Huang

Keyword(s):

Glass Transition ◽

Structural Relaxation ◽

Polymer Nanoparticles

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Computational study of topological effects on intramolecular electron transfer in mixed-valence compounds

Frontiers of Chemistry in China ◽

10.1007/s11458-011-0257-2 ◽

2011 ◽

Vol 6 (4) ◽

pp. 280-286

Author(s):

Yinxi Yu ◽

Haobin Wang

Keyword(s):

Electron Transfer ◽

Computational Study ◽

Mixed Valence ◽

Intramolecular Electron Transfer ◽

Mixed Valence Compounds

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Self-consistent field theory and its applications in polymer systems

Frontiers of Chemistry in China ◽

10.1007/s11458-011-0251-8 ◽

2011 ◽

Vol 6 (4) ◽

pp. 310-331 ◽

Author(s):

Dadong Yan ◽

Tongchuan Suo ◽

Xinghua Zhang ◽

Xingkun Man ◽

Bing Miao

Keyword(s):

Field Theory ◽

Polymer Systems ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Self Consistent Field Theory

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Molecular structure and vibrational spectra of phenobaraitone by density functional theory and ab initio hartree-Fock calculations

Frontiers of Chemistry in China ◽

10.1007/s11458-011-0255-4 ◽

2011 ◽

Vol 6 (4) ◽

pp. 358-366 ◽

Author(s):

Ruizhou Zhang ◽

Xiaohong Li ◽

Xianzhou Zhang

Keyword(s):

Molecular Structure ◽

Density Functional Theory ◽

Ab Initio ◽

Vibrational Spectra ◽

Density Functional ◽

Functional Theory ◽

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A study of chemical reactions in coarse-grained simulations

Frontiers of Chemistry in China ◽

10.1007/s11458-011-0252-7 ◽

2011 ◽

Vol 6 (4) ◽

pp. 300-309 ◽

Author(s):

Hong Liu ◽

Zhongyuan Lu

Keyword(s):

Chemical Reactions ◽

Coarse Grained ◽

Coarse Grained Simulations

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