Qun Zeng

Sichuan University Chengdu 610065 China +86-28-85405515 +86-28-85405515
Chengdu, 854055, China

Last Updated: 09/26/2026

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Found 15 publications

Probing the surface structure of hydroxyapatite through its interaction with hydroxyl: a first-principles study.

Probing the surface structure of hydroxyapatite through its interaction with hydroxyl: a first-principles study.

Journal: RSC advances

Published: December 07, 2017

Does increasing pressure always accelerate the condensed material decay initiated through bimolecular reactions? A case of the thermal decomposition of TKX-50 at high pressures.

Does increasing pressure always accelerate the condensed material decay initiated through bimolecular reactions? A case of the thermal decomposition of TKX-50 at high pressures.

Journal: Physical chemistry chemical physics : PCCP

Published: August 22, 2017

Polarizability as a tool to determine the electrostatic shielding effect of nanocarbon cages: a polarizability distribution study on noble gas endohedral fullerenes.

Polarizability as a tool to determine the electrostatic shielding effect of nanocarbon cages: a polarizability distribution study on noble gas endohedral fullerenes.

Journal: Physical chemistry chemical physics : PCCP

Published: January 31, 2017

Polarization response of clathrate hydrates capsulated with guest molecules.

Polarization response of clathrate hydrates capsulated with guest molecules.

Journal: The Journal of chemical physics

Published: June 03, 2016

A DFT Study Toward the Reaction Mechanisms of TNT With Hydroxyl Radicals for Advanced Oxidation Processes.

A DFT Study Toward the Reaction Mechanisms of TNT With Hydroxyl Radicals for Advanced Oxidation Processes.

Journal: The journal of physical chemistry. A

Published: May 03, 2016

Furazans with Azo Linkages: Stable CHNO Energetic Materials with High Densities, Highly Energetic Performance, and Low Impact and Friction Sensitivities.

Furazans with Azo Linkages: Stable CHNO Energetic Materials with High Densities, Highly Energetic Performance, and Low Impact and Friction Sensitivities.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany)

Published: April 22, 2016

Core-shell interaction and its impact on the optical absorption of pure and doped core-shell CdSe/ZnSe nanoclusters.

Core-shell interaction and its impact on the optical absorption of pure and doped core-shell CdSe/ZnSe nanoclusters.

Journal: The Journal of chemical physics

Published: April 10, 2016

Optical absorption of warped nanographenes tuned by five- and seven-membered carbon rings.

Optical absorption of warped nanographenes tuned by five- and seven-membered carbon rings.

Journal: Physical chemistry chemical physics : PCCP

Published: June 20, 2015

Structures and optical absorptions of PbSe clusters from ab initio calculations.

Structures and optical absorptions of PbSe clusters from ab initio calculations.

Journal: The Journal of chemical physics

Published: September 14, 2013

First-principles study of O2 activation on ligand-protected Au32 clusters.

First-principles study of O2 activation on ligand-protected Au32 clusters.

Journal: Physical chemistry chemical physics : PCCP

Published: May 14, 2013

First-principles study of ammonium ions and their hydration in montmorillonites.

First-principles study of ammonium ions and their hydration in montmorillonites.

Journal: Journal of molecular modeling

Published: November 21, 2012

First-principles study of AuC60 clusters.

First-principles study of AuC60 clusters.

Journal: Journal of nanoscience and nanotechnology

Published: September 12, 2012

Showing 1-12 of 15

Last Updated: 09/26/2026