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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 | 血管性认知障碍的诊断标准:国际血管性行为与认知障碍学会的申明显示文摘长期以来,脑血管病(CVD)就被认为是认知损害的一个重要原因,但是有关脑血管病后认知障碍的概念化却有着一段多变的历史。'动脉变硬'或脑的动脉粥样硬化是'老化'的原因,是存在已久的观点,在20世纪60年代受到了来自英格兰纽卡斯尔的神经病理学研究的质疑。这些研究表明,血管性痴呆(vascular dementia,Va D)与超过一定程度的多发性脑梗死有关。 | 徐岩 郭起浩 Sachdev P Kalaria R O'Brien J Skoog I Alladi S Black SE Blacker D Blazer DG Chen C Chui H Ganguli M Jellinger K Jeste DV Pasquier F Paulsen J Prins N Rockwood K Roman G Scheltens P | 2014 | 神经病学与神经康复学杂志2014，11，3： | 19 |
| 3 | 诊断性试验和策略的证据质量和推荐强度的分级显示文摘GRADE系统能对诊断性试验或策略的证据质量和推荐强度进行分级。本文旨在阐释在此过程中如何考虑患者的重要结局, | Holger J Schünemann Andrew D Oxman Jan Brozek Paul Glasziou Roman Jaeschke Gunn E Vist John W Williams Jr Regina Kunz Jonathan Craig Victor M Montori Patrick Bossuyt Gordon H Guyatt 李晓 黄程 陈耀龙 李幼平 | 2009 | 中国循证医学杂志2009，9，5： | 7 |
| 4 | Diffusion-weighted 7.0T Magnetic Resonance Imaging in Assessment of Intervertebral Disc Degeneration in Rats显示文摘 | Long-Yang Li Xiao-Lin Wu Richard J Roman Fan Fan Chen-Sheng Qiu Bo-Hua Chen | 2018 | Chinese Medical Journal2018，，1： | 3 |
| 5 | GRADE:在推荐分级中体现对资源利用的考虑显示文摘指南小组成员对资源利用是否会影响个体患者的治疗决策有不同看法。由于医疗费用上涨,必须考虑资源利用的影响,但指南小组成员可能会发现这有很大的挑战性。 | Gordon H Guyatt Andrew D Oxman Regina Kunz Roman Jaeschke Mark Helfand Alessandro Liberati Gunn E Vist Holger J Schьnemann 王菊芬 陈耀龙 李幼平 | 2009 | 中国循证医学杂志2009，9，6： | 2 |
| 6 | Hazards to space missions from microbial biofilms 显示文摘 | MITCHELL R GU J D ROMAN M | 1996 | Biodeterior Biodegrad1996，133，： | 1 |
| 7 | Deregulation,Privatization,and Competition:Transmission Planning under Uncertainty显示文摘 | De la Torre T Feltes J W Roman T G S | 1999 | IEEE Trans on Power Systems1999，14，2： | 1 |
| 8 | Cardiac and systemic hemodynamic characteristics of hypertension and prehypertension in adolescents and young adults : the Strong Heart Study 显示文摘 | Drukteinis J S Roman M J Fabsitz R R | 2007 | Circula- tion2007，115，2： | 1 |
| 9 | Medullary thyroid cancer: early detection and novel treatments显示文摘 | Roman S Mehta P Sosa J A | 2009 | Curr Opin Oncol2009，21，1： | 1 |
| 10 | Villanova,regioselective pyrazole formation显示文摘 | Fustero S Roman R Fu J etal | 2008 | J Org Chem2008，73，21： | 1 |
| 11 | A29- year-old immunocompetent man with meningitis and a large pulmonary mass显示文摘 | Naik-Mathuria B Roman Pavajeau J Leleux TM | 2008 | Chest2008，133，4： | 1 |
| 12 | Astrocytes and the Regulation of Cerebral Blood Flow显示文摘 | Koehler RC Roman R J Harder DR | 2009 | Trends Neurosci2009，32，3： | 1 |
| 13 | Design of corrugated waveguide filters by Fourier-transform techniques 显示文摘 | Winick K A Roman J E | 1990 | IEEE Journal of Quantum Electronics1990，26，11： | 1 |
| 14 | Systemic inflammatory response syndrome caused by chronic salicylate intoxication显示文摘 | CHALASANI N ROMAN J JURADO R L | | 0，，05： | 1 |
| 15 | Benefits and Burdens of Migration with Specific References to the Brain Drain显示文摘 | Romans J T | 1974 | Southern Economic Journal1974，，2： | 1 |
| 16 | Prognostic factors for squanaous cell cancer of the parotid gland: an analysis of 2104 pa- tients 显示文摘 | Chen M M Roman S A Sosa J A | 2015 | Head Neck2015，37，1： | 1 |
| 17 | Speech segregation based on sound localization 显示文摘 | Roman N Wang D L Brown G J | 2003 | Journal of Acoustic Society of America2003，114，4： | 1 |
| 18 | Tile role of microbial biofilms in deterioration of space station candidate materials 显示文摘 | GU J D ROMAN M ESSELMAN T | 1998 | Int Biodeterior Biodegrad1998，41，： | 1 |
| 19 | Relation of blood pressure variability to carotid atheroselerosis and carotid artery and left ventricular hypertrophy 显示文摘 | Roman M J Pickering T G Schwartz J E a al | 2001 | Arterioscler Thromb Vasc Biol2001，21，9： | 1 |
| 20 | Anticonvulsant effects of nimodipine and two novel dihydropyridines (PCA 50922 and PCAS0941 ) a-gainst seizures elicited by pentylenetrazole and electroconvulsive shock in mice显示文摘 | Zapa ter P Javaloy J Roman JF | 1998 | Brain Res1998，796，12： | 1 |
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