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| 1 | The ReaxFF reactive force-field: development, applications and future directions显示文摘The reactive force-field(ReaxFF)interatomic potential is a powerful computational tool for exploring,developing and optimizing material properties.Methods based on the principles of quantum mechanics(QM),while offering valuable theoretical guidance at the electronic level,are often too computationally intense for simulations that consider the full dynamic evolution of a system.Alternatively,empirical interatomic potentials that are based on classical principles require significantly fewer computational resources,which enables simulations to better describe dynamic processes over longer timeframes and on larger scales.Such methods,however,typically require a predefined connectivity between atoms,precluding simulations that involve reactive events.The ReaxFF method was developed to help bridge this gap.Approaching the gap from the classical side,ReaxFF casts the empirical interatomic potential within a bond-order formalism,thus implicitly describing chemical bonding without expensive QM calculations.This article provides an overview of the development,application,and future directions of the ReaxFF method. | Thomas P Senftle Sungwook Hong Md Mahbubul Islam Sudhir B Kylasa Yuanxia Zheng Yun Kyung Shin Chad Junkermeier Roman Engel-Herbert Michael J Janik Hasan Metin Aktulga Toon Verstraelen Ananth Grama Adri CT van Duin | 2016 | npj Computational Materials2016，，1： | 22 |
| 2 | 健康成人动脉粥样硬化斑块易感性和血栓形成的生物标志物变化与极端空气污染水平相关:北京AIRCHD研究显示文摘空气污染与心血管事件恶化的病理生理机制尚不完全清楚。该文探讨环境空气污染是否可以触发易损斑块.通过全身炎症途径促进血栓形成。方法:在北京AIRCHD研究中.2014-2016年间对73名健康成年人[年龄(23.3±5.4)岁]进行了随访。研究者使用线性混合效应模型评估了空气污染物与动脉粥样硬化斑块易损性、血栓形成和炎症相关生物标志物之间的关系,并使用中介效应分析(mediation analyses)探讨涉及的生物学途径。通过受试者工作特征(receiver operating characteristic,ROC)曲线分析评估每种生物标记物预测环境空气污染暴露的能力。 | 刘青 叶鹏 Xu H Wang T Liu S Brook RD Feng B Zhao Q Song X Yi T Chen J Zhang Y Wang Y Zheng L Rajagopalan S Li J Huang W | 2019 | 中华高血压杂志2019，27，4： | 13 |
| 3 | Endoscopic full-thickness resection of gastric stromal tumor arising from the muscularis propria显示文摘 | Zhang B Huang LY Wu CR Cui J Jiang LX Zheng HT | 2013 | Chinese Medical Journal2013，，13： | 7 |
| 4 | Isolation of GIF from porcine brain and studies of its zinc transfer kinetics with apo-carbonic anhydrase显示文摘 | Shi Y B Du L Zheng W J | 2002 | Biometal2002，15，4： | 2 |
| 5 | 卒中介入治疗培训指南:国际多学会共识文件显示文摘1背景
缺血性卒中是全球人口死亡和残疾的首要原因。很多急性大血管闭塞(emergent large vesselocclusion,ELVO)患者都会遗留长期残疾。事实上,这些颅内大动脉闭塞经常会导致大面积脑损伤,进而造成患者死亡或严重致残。 | Lavine SD Cockroft K Hoh B Bambakidis N Khalessi AA Woo H Riina H Siddiqui A Hirsch JA Chong W Rice H Wenderoth J Mitchell P Coulthard A Signh TJ Phatorous C Khangure M Klurfan P ter Brugge K Iancu D Gunnarsson T Pongpech S Rodesch G Soderman M Taylor A Krings T Orbach D Picard L Suh DC Zheng HQ Jansen O Muto M Szikora I Pierot L Brouwer P Gralla J Renowden S Andersson T Fiehler J Turjman F White P Januel AC Spelle L Kulcsar Z Chapot R Biondi A Dima S Taschner C Szajner M Krajina A Sakai N Matsumaru Y Yoshknura S Ezura M Fujinaka T Iihara K Ishii A Higashi T Hirohata M Hyodo A Ito Y Kawanishi M Kiyosue H Kobayashi E Kobayashi S Kuwayama N Matsumoto Y Miyachi S Murayama Y Nagata I Nakahara I Nemoto S Niimi Y Oishi H Satomi J Satow T Sugiu K Tanaka M Terada T Yamagami H Diaz O Lylyk P Jayaraman MV Patsalides A Gandhi CD Lee SK Abruzzo T Albani B Ansari SA Arthur AS Baxter BW Bulsara KR Chen M Almandoz JE Fraser JF Heck DV Hetts SW Hussain MS Klucznik RP Leslie-Mawzi TM Mack WJ McTaggart RA Meyers PM Mocco J Prestigiacomo CA Pride GL Rasmussen PA Starke RM Sunenshine PJ Tarr RW Frei DF Pabo M Nogueira RG Zaidat OO Jovin T Linfante I Yavagal D Liebeskind D Novakovic R Pongpech S 许岩 孙瑞 郭芮兵 | 2017 | 国际脑血管病杂志2017，25，5： | 2 |
| 6 | Therapeutic effect of hepatitis B surface antigen-antibody complex is associated with cytolytic and non-cytolytic immune responses in hepatitis B patients显示文摘 | Yao X Zheng B Zhou J | | 0，，： | 2 |
| 7 | Cancer Genome Scanning in Plasma: Detection of Tumor-Associated Copy Number Aberrations, Single-Nucleotide Variants, and Tumoral Heterogeneity by Massively Parallel Sequencing显示文摘 | Chan K C Allen Jiang Peiyong Zheng Yama W L Liao Gary J W Sun Hao Wong John Siu Shing Shun N Chan Wing C Chan Stephen L Chan Anthony T C Lai Paul B S Chiu Rossa W K Lo Y M D | 2013 | Clinical Chemistry2013，，1： | 2 |
| 8 | Volatile flavor constituents in roasted pork of mini-pig显示文摘 | XIE J C SUN B G ZHENG F P | 2008 | Food Chemistry2008，109，： | 1 |
| 9 | Estimation of wrist angle from sonomyography using support vector machine and artificial neural network models显示文摘 | Xie H B Zheng Y P Guo J Y | 2009 | Med Eng Phys2009，31，3： | 1 |
| 10 | Unique immunogenicity of hepatitis B virus DNA vaccine presented by live-attenuated Salmonella typhimurium显示文摘 | Woo P C Wong L P Zheng B J | 2001 | Vaccine2001，19，： | 1 |
| 11 | Downregulation and abromal expression of E-cadherin and β-catenin in nasopharyngeal carcinoma:close association with advanced disease stage and lymph node metastasis显示文摘 | Zheng Z Pan J Chu B | 1999 | Hum Pathol1999，30，4： | 1 |
| 12 | MiR-126 restora-tion down-regulate VEGF and inhibit the growth of lung cancer celllines in vitro and in vivo显示文摘 | Liu B Peng XC Zheng XL Wang J Qin YW | 2009 | Lung Cancer2009，66，2： | 1 |
| 13 | A Simplified Method for Analysis of a Piled Embankment Reinforced with Geosynthetics 显示文摘 | ABUSHARAR S W ZHENG J J CHEN B G | 2009 | Geotextiles and Geomembranes2009，27，1： | 1 |
| 14 | NADPH oxidase subunit p22 (phox) -mediated reactive oxygen species contribute to angiogene- sis and tumor growth through AKT and ERK1/2 signaling pathways in prostate cancer显示文摘 | LI Q FU G B ZHENG J T | 2013 | Biochim Biophys Acta2013，1833，12： | 1 |
| 15 | Nitric oxide scavenging lignans from Vitex negundo seeds显示文摘 | Zheng C J Huang B K Han T | 2009 | J Nat Prod2009，72，9： | 1 |
| 16 | The TIL commissioning and performance显示文摘 | X Zhang W Zheng X Wei F Jing Z Sui K Zheng Q Xu X Yuan X Jiang L Yang P Ma M Li J Wang D Hu S He F Li Z Peng B Feng H Zhou L Guo X Li X Zhang J Su Q Zhu H Yu R Zhao C Ma H He D Fan W Zhang | 2008 | Journal of Physics: Conference Series2008，，3： | 1 |
| 17 | Enhanced Adsorption of p-Nitroaniline from Water by a Carboxylated Polymeric Adsorbent 显示文摘 | Zheng K Pan B C Zhang Q J | 2007 | Separation and Purification Technology2007，57，2： | 1 |
| 18 | Epitaxial BiFeO3 multiferroic thin film heterostructures 显示文摘 | WANG J NEATON J B ZHENG H | 2003 | Science2003，299，5613： | 1 |
| 19 | Preparation,characterization, and pharmacokineties of sterically stabilized nimodipine-containing liposomes 显示文摘 | Yang D B Zhu J B Zheng Y | 2006 | Drug Dev Ind Pharm2006，32，2： | 1 |
| 20 | Anti-tumor effects of human peripheral gammadelta T cells in a mouse tumor model显示文摘 | Zheng B J Chan K W Im S | 2001 | Int J Cancer2001，92，： | 1 |
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