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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 | Recurrence and Prognostic Factors of Ampullary Carcinoma after Radical Resection: Comparison with Distal Extrahepatic Cholangiocarcinoma显示文摘 | Sang Myung Woo MD Ji Kon Ryu MD Sang Hyub Lee MD Ji Won Yoo MD Joo Kyung Park MD Yong-Tae Kim MD Jin-Young Jang MD Sun-Whe Kim MD Gyeong Hoon Kang MD Yong Bum Yoon MD | 2007 | Annals of Surgical Oncology2007，，11： | 2 |
| 3 | Extrapancreatic Malignancies in Patients with Intraductal Papillary Mucinous Neoplasm of the Pancreas: Prevalence, Associated Factors, and Comparison with Patients with Other Pancreatic Cystic Neoplasms显示文摘 | Won Jae Yoon MD Ji Kon Ryu MD Jun Kyu Lee MD Sang Myung Woo MD Sang Hyub Lee MD Joo Kyung Park MD Yong-Tae Kim MD Yong Bum Yoon MD | 2008 | Annals of Surgical Oncology2008，，11： | 2 |
| 4 | Nationwide incidence of clinically diagnosed central retinal artery oc- clusion in korea,2008 to 2011显示文摘 | Sang jun park MD Nam - kyong choi PHD Kyung Ha Seo MS | 2014 | americal academy of ophthalmolo- gy2014，121，10： | 1 |
| 5 | Carcinoma ex-pleomorphic of the nasal cavity:a report of two case显示文摘 | Kyung JA Cho MD Adel K | 1995 | J laryngol Otol1995，109，： | 1 |
| 6 | Survival Analysis of Intrahepatic Cholangiocarcinoma After Resection显示文摘 | Seong Yeon Cho MD Sang-Jae Park MD PhD Seong Hoon Kim MD Sung-Sik Han MD Young-Kyu Kim MD Kwang-Woong Lee MD Soon-Ae Lee MD Eun Kyung Hong MD Woo Jin Lee MD Sang Myung Woo MD | 2010 | Annals of Surgical Oncology2010，，7： | 1 |
| 7 | Survival Analysis of Intrahepatic Cholangiocarcinoma After Resection显示文摘 | Seong Yeon Cho MD Sang-Jae Park MD PhD Seong Hoon Kim MD Sung-Sik Han MD Young-Kyu Kim MD Kwang-Woong Lee MD Soon-Ae Lee MD Eun Kyung Hong MD Woo Jin Lee MD Sang Myung Woo MD | 2010 | Annals of Surgical Oncology2010，，7： | 1 |
| 8 | Carcinoma ex-pleomorphic adenoma of the nasal cavity:a report of two cases显示文摘 | Kyung JA Cho MD Adel K | 1995 | J Laryngol Oto11995，109，： | 1 |
| 9 | Death receptor 5 and Bcl-2 protein expression as predictors of tumor response to gemcitabine and cisplatin in patients with advanced non-small-cell lung cancer显示文摘 | Ji-Youn Han MD PhD Eun Kyung Hong Byung Gil Choi Jin No Park Ki Won Kim Jin Hyung Kang Jong-Youl Jin Suk Young Park Young Seon Hong Kyung Shik Lee | 2003 | Medical Oncology2003，，4： | 1 |
| 10 | Robotic modified radical neck dissection by bilateral axillary breast approach for papillary thyroid carcinoma with lateral neck metastasis 显示文摘 | Kim BS Kyung Ho Kang MD PhD Sung Jun Park MD PhD | 2015 | Head & Neck2015，37，1： | 1 |
| 11 | Distal Tibia Metaphyseal Fractures Treated by Percutaneous Plate Osteosynthesis显示文摘 | Chang-Wug MD Kyung Hee-Soo MD Park Il-Hyung MD Kim Poong-Taek MD Ihn Joo-Chul MD | 2003 | Clin Orthop 20032003，28，： | 1 |
| 12 | against Hinflueazae type b Capsular Polysaeeharide Antigen显示文摘 | Kyung H Kin MD Dong Sookim MD Rcaction of Scla of the korean Children Free from Hib lnvasive Diseases | 1994 | J Korean Med Sci1994，9，1： | 1 |
| 13 | Survival Analysis of Intrahepatic Cholangiocarcinoma After Resection显示文摘 | Seong Yeon Cho MD Sang-Jae Park MD PhD Seong Hoon Kim MD Sung-Sik Han MD Young-Kyu Kim MD Kwang-Woong Lee MD Soon-Ae Lee MD Eun Kyung Hong MD Woo Jin Lee MD Sang Myung Woo MD | 2010 | Annals of Surgical Oncology2010，，7： | 1 |
| 14 | Rcaetion of scla of the Rorean Children Free fron Hib Invasive Diseases against Hinflueazac type b Capsular Polysaeeharide ANTIGEN 显示文摘 | Kyung H Kin MD Dong Sookim MD | 1994 | J Korean Med Sci1994，9，1： | 1 |
| 15 | Interstitial lung diseases associated with collagen vascular diseases:Radiologic and hostopathologic findings显示文摘 | Eun Ak Kyung MD Soo L | 2002 | Radio Graphic2002，22，： | 1 |
| 16 | Homocysteine in Sickle Cell Disease显示文摘 | Patricia E Houston MS Sohail Rana MD Sudhir Sekhsaria MD Elliott Perlin MD Kyung Sook Kim PhD Oswaldo L Castro MD | 1997 | The American Journal of Medicine1997，，3： | 1 |
| 17 | Rcaction of scla of the Korean children free from hib invasive diseases against hinflueazae type bcapsular polysaeeharide antigen显示文摘 | Kyung H Kin MD Dong Sookim MD | 1994 | J Korean Med Sci1994，9，1： | 1 |
| 18 | Analysis of Aqueous Humor Calcium and Phosphate from Cataract Eyes with and without Diabetes显示文摘 | Chan Joong Kim MD Sang Kyung Choi MD | 2007 | Mellitus Korean Jour- nal of Ophthalmology2007，21，2： | 1 |
| 19 | Extent of Prophylactic Lymph Node Dissection in the Central Neck Area of the Patients with Papillary Thyroid Carcinoma: Comparison of Limited Versus Comprehensive Lymph Node Dissection in a 2-Year Safety Study显示文摘 | Young-Ik Son MD PhD Han-Sin Jeong MD PhD Chung-Hwan Baek MD PhD Man Ki Chung MD Junsun Ryu MD PhD Jae Hoon Chung MD PhD Yoon Kyung So MD Jeon Yeob Jang MD Jeesun Choi MD | 2008 | Annals of Surgical Oncology2008，，7： | 1 |
| 20 | 经椎问孔硬膜外注射后血管内显影:颈椎和腰椎节段的对比研究显示文摘背景经椎间孔硬膜外注射(transforaminalepiduralinjection,TEI)常用于治疗神经根性疼痛。然而,许多已发表的研究表明,TEI后可有严重并发症,且多发生在颈椎段水平;对该并发症的一种解释是操作者不慎将药物误注射入血管内。本研究的目的在于鉴别TEI时颈椎段和腰椎段血管内注射的发生率。方法将伴有神经根性疼痛症状或者带状疱疹相关性疼痛的患者前瞻性地分为2组,由作者中的一位对其实施颈椎段或腰椎段TEI。以双平面X线透视确认穿刺针的理想位置后,操作者在实时显影的X线透视下,以0.3—0.5ml/s的速度持续注入非离子型造影剂和生理盐水混合液3ml。结果共实施了182例TEI,其中56例(30.8%)出现了血管内显影,45例发生在颈椎段TEI(cervicalTEIs,CTEIs),11例发生在腰椎段TEI(1umbarTEIs,LTEIs)。出现神经周围和血管内同时显影的发生率分别是:CTE[s52.1%、LTEIs9%,仅出现血管内显影的比例是:CTEIs11.3%、LTEIs0.9%。结论佃s血管内注射的发生率明显高于LTEIs,提示实施CTEIs时应更加谨慎。此外,CTEIs时血管内注射的发生率高于已有的文献报道,这个发现提示检测TEI血管内注射时,选用适宜容量的造影剂(3ml)是必要的,尤其是在同时出现神经周围和血管内显影时。 | Do Wan Kim, MD Kyung Ream Han MAD, Chan Kim, MD Yun Jeong Chae, MD 吴德华(译) 徐关英(校) | 2010 | 麻醉与镇痛2010，，5： | 0 |
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