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[会议论文] 作者：Weisen Xu,Guangfu Ji,
来源：第26届国际高压科学技术大会、第8届亚洲高压科技学术会议暨第19届中国高压科学技术会议(The 26th Interna 年份：2017
Molecular dynamics(MD)simulations of phase transition of hexahydro-1,3,5-trinitro-1,3,5-s-triazine(RDX)on monocrystalline Si substrate have been performed using the bond-order based ReaxFF [1] force f...
From intermolecular interaction to structures and properties of cocrystal explosive CL-20/TNT:Molecu
[会议论文] 作者：Xiu-Qing Zhang,Guang-Fu Ji,
来源：第26届国际高压科学技术大会、第8届亚洲高压科技学术会议暨第19届中国高压科学技术会议(The 26th Interna 年份：2017
By Molecular Dynamic Simulation,we conducted a thorough study on a novel cocrystal explosive 1∶1 CL-20: TNT and gained insight into the interaction-structure–property interrelationship....
A new crystal structure and physical properties of technetium nitride predicted from first principle
[会议论文] 作者：Yan-Fei Hu,Guang-Fu Ji,
来源：第26届国际高压科学技术大会、第8届亚洲高压科技学术会议暨第19届中国高压科学技术会议(The 26th Interna 年份：2017
Using the first-principles particle swarm optimization algorithm for crystal structural prediction,we have predicted a new crystal structure of TcN with P42/m phase....
ABCC2 polymorphism predicts pathological response to platinum/5-Fu-based neoadjuvant chemotherapy an
[会议论文] 作者：Jiafu Ji,Ziyu Li,
来源：第十二届国际胃癌学术会议 年份：2017
Purpose: Several studies have evaluated the efficacy of neoadjuvant treatment using oxaliplatin and fluoropyrimidines in advanced gastric cancer(GC).However,preoperative biomarkers for clinical outcom...
[会议论文] 作者：Xiang Ji,Guoli Li,
来源：第十二届国际胃癌学术会议 年份：2017
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[会议论文] 作者：Sheqing Ji,Zhandong Zhang,
来源：第十二届国际胃癌学术会议 年份：2017
...
Analysis of clinic pathological characteristics and prognosis of remnant gastric cancer:A retrospect
[会议论文] 作者：Tao Fu,Zhaode Bu,Xiaojiang Wu,Ji Zhang,Jiafu Ji,
来源：第十二届国际胃癌学术会议 年份：2017
Objective: The clinic pathological characteristics and influencing prognostic factors of surgical treatment of remnant gastric cancer(RGC)are still in question,while the incidence of these patients wi...
[会议论文] 作者：FEI LIANG,ZHE LIN,
来源：2017年全国现代逻辑学术研讨会 年份：2017
The paper proves that Lambek calculus with a De Morgan negation (LDN) is decidable which answers the open question in[9].Our proposal builds on the...
Metal Non-Oxide Nanostructures Derived from Inorganic-Organic Hybrids for Electrochemical Water Spli
[会议论文] 作者：You Xu,Liang Wang,
来源：第二届中国(国际)能源材料化学研讨会 年份：2017
Electrochemical water splitting is widely considered to be a critical step for efficient renewable energy production,storage and usage such as sustainable hydro...
[会议论文] 作者：Liang Gao,Yuxiang Bu,
来源：第十三届全国量子化学会议 年份：2017
In this work,we present an ab initio molecular dynamics simulation study on the interaction of an excess electron(EE)with histidine in its neutral or slight...
[会议论文] 作者：Liang zhang,Bin Jiang,
来源：第十三届全国量子化学会议 年份：2017
The second(B)photoabsorption band of H2O in the vacuum ultraviolet(VUV)region emerges from 140 nm with a number of nearly equidistant osci llation structure...
Donor-Acceptor-Donor Compounds Bearing Highly-Fluorinated Closo-Carborane Acceptors as Potential Dee
[会议论文] 作者：Chunyun Tu,WanZhen Liang,
来源：第十三届全国量子化学会议 年份：2017
TADF materials have been intensively explored as one of the most promising third-generation electrofluorescence materials for applications in modern organic...
Transition from quantum to classical description:a theoretical study on Aluminum tetrahedral cluster
[会议论文] 作者：Pengcheng Zhang,WanZhen Liang,
来源：第十三届全国量子化学会议 年份：2017
We have investigated the aluminum clusters with both quantum real time TDDFT and classical FDTD method.The absorption spectra of the optimized aluminum clus...
Metal Non-Oxide Nanostructures Derived from Inorganic-Organic Hybrids for Electrochemical Water Spli
[会议论文] 作者：You Xu,Liang Wang,
来源：第二届中国(国际)能源材料化学研讨会 年份：2017
...
[会议论文] 作者：Hairong Xue,Liang Wang,
来源：第二届中国(国际)能源材料化学研讨会 年份：2017
Both lithium-ion and lithium-air batteries are the promising choices for the clean and sustainable energy storage and conversion devices to meet the requirement...
[会议论文] 作者：Xiaoning Liang,Yuhui Gao,
来源：华人学者营销协会,对外经济贸易大学 年份：2017
Marketing accountability and the assessment of marketing performance have been a major concern for both practitioners and marketing scholars.To address the increasing demand for marketing accountabili...
[会议论文] 作者：Zhiye Zhu,Wanzhen Liang,
来源：第十三届全国量子化学会议 年份：2017
The charge carrier mobilities and singlet fission(SF)dynamic process in newly synthesized three thienoquinoidal compounds(ThBF,TThBF and BThBF)are theoretically characterized by combining time-depende...
How the Structures and Properties of Two-Dimensional Layered Perovskites MAPbI3 and CsPbI3 Vary with
[会议论文] 作者：Lei Zhang,WanZhen Liang,
来源：第十三届全国量子化学会议 年份：2017
This work aims to explore the intrinsic properties of two-dimensional(2D)-layered perovskites,(PEA)2PbI4(N)and Cs2PbI4(N),and demonstrating how their structures and properties vary with N.The results...
Transition from quantum to classical description:a theoretical study on Aluminum tetrahedral cluster
[会议论文] 作者：Pengcheng Zhang,WanZhen Liang,
来源：第十三届全国量子化学会议 年份：2017
We have investigated the aluminum clusters with both quantum real time TDDFT and classical FDTD method.The absorption spectra of the optimized aluminum clusters have two wide absorption bands....
Donor-Acceptor-Donor Compounds Bearing Highly-Fluorinated Closo-Carborane Acceptors as Potential Dee
[会议论文] 作者：Chunyun Tu,WanZhen Liang,
来源：第十三届全国量子化学会议 年份：2017
TADF materials have been intensively explored as one of the most promising third-generation electrofluorescence materials for applications in modern organic light-emitting diode(OLED)devices in recent...
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