| no |
title |
author |
magazine |
year |
volume |
issue |
page(s) |
type |
| 1 |
A study of chemical reactions in coarse-grained simulations
|
Liu, Hong
|
|
2011
|
6 |
4 |
p. 300-309
|
article
|
| 2 |
Calculations of ionization energies and electron affinities for atoms and molecules: A comparative study with different methods
|
Su, Neil Qiang
|
|
2011
|
6 |
4 |
p. 269-279
|
article
|
| 3 |
Computational study of topological effects on intramolecular electron transfer in mixed-valence compounds
|
Yu, Yinxi
|
|
2011
|
6 |
4 |
p. 280-286
|
article
|
| 4 |
Electronic band structure from first-principles Green’s function approach: theory and implementations
|
Jiang, Hong
|
|
2011
|
6 |
4 |
p. 253-268
|
article
|
| 5 |
Molecular structure and vibrational spectra of phenobaraitone by density functional theory and ab initio hartree-Fock calculations
|
Zhang, Ruizhou
|
|
2011
|
6 |
4 |
p. 358-366
|
article
|
| 6 |
Preparation of polymer nanoparticles, and the effect of nanoconfinement on glass transition, structural relaxation and crystallization
|
Chen, Rong
|
|
2011
|
6 |
4 |
p. 332-340
|
article
|
| 7 |
Self-consistent field theory and its applications in polymer systems
|
Yan, Dadong
|
|
2011
|
6 |
4 |
p. 310-331
|
article
|
| 8 |
Surface-enhanced Raman scattering (SERS) based on surface plasmon resonance coupling techniques
|
Xu, Shuping
|
|
2011
|
6 |
4 |
p. 341-354
|
article
|
| 9 |
Theoretical study on the hydration of hydrogen peroxide in terms of ab initio method and atom-bond electronegativity equalization method fused into molecular mechanics
|
Yu, Chunyang
|
|
2011
|
6 |
4 |
p. 287-299
|
article
|
| 10 |
ZnO nanorod arrays: Dependence of morphology upon ammonia
|
Xie, Yu
|
|
2011
|
6 |
4 |
p. 355-357
|
article
|
Journal description