Paper Publications

• [1] Computational Exploration of Conformations of Glycine-Arginine and a Deduced Model on Global Minimum Configurations of Dipeptides in Gas Phase.CHINESE JOURNAL OF CHEMICAL PHYSICS.2015,28(2):161-167
• [2] Multi-Physics Modeling of Solid Oxide Fuel Cell Fueled by Methane and Analysis of Carbon Deposition.CHINESE JOURNAL OF CHEMICAL PHYSICS.2015,28(3):299-307
• [3] Computational study on single molecular spectroscopy of tyrosin-glycine, tryptophane-glycine and glycine-tryptophane.SCIENTIFIC REPORTS.2017,7
• [4] Complexations of alkali/alkaline earth metal cations with gaseous glutamic acid.COMPUTATIONAL AND THEORETICAL CHEMISTRY.2014,1039:1-10
• [5] A scheme for the generation of Fe-P networks to search for low-energy LiFePO4 crystal structures.JOURNAL OF MATERIALS CHEMISTRY A.2017,5(28):14611-14618
• [6] Structural Information-Based Method for the Efficient and Reliable Prediction of Oligopeptide Conformations.JOURNAL OF PHYSICAL CHEMISTRY B.2017,121(12):2525-2533
• [7] A theoretical framework for multiphysics modeling of methane fueled solid oxide fuel cell and analysis of low steam methane reforming kinetics.APPLIED ENERGY.2016,176:1-11
• [8] Performances of Five Representative Force Fields on Gaseous Amino Acids with Different Termini.CHINESE JOURNAL OF CHEMICAL PHYSICS.2016,29(2):179-186
• [9] Theoretical models for effective electrical and electrochemical properties of nano-particle infiltrated electrode of solid oxide fuel cell.INTERNATIONAL JOURNAL OF HYDROGEN ENERGY.2014,39(28):15982-15988
• [10] Theoretical model for surface diffusion driven Ni-particle agglomeration in anode of solid oxide fuel cell.JOURNAL OF POWER SOURCES.2014,255:144-150
• [11] Thorough theoretical search of conformations of neutral, protonated and deprotonated glutamine in gas phase.COMPUTATIONAL AND THEORETICAL CHEMISTRY.2013,1020:14-21
• [12] Conformations and Metal Ion Affinities of Glutamine Binding with Alkali and Alkaline Earth Metal Cations: an ab initio Study.CHINESE JOURNAL OF CHEMICAL PHYSICS.2014,27(2):189-199
• [13] Spin polarization switching in monolayer graphene through a Rashba multi-barrier structure.APPLIED PHYSICS LETTERS.2013,102(14)
• [14] Systematic search of conformations of five tetrapeptides and a divide and conquer strategy for the predictions of peptide structures.COMPUTATIONAL AND THEORETICAL CHEMISTRY.2017,1108:40-49
• [15] Local Structures and Chemical Properties of Deprotonated Arginine.CHINESE JOURNAL OF CHEMICAL PHYSICS.2012,25(6):681-686