首页 | 本学科首页   官方微博 | 高级检索  
     检索      


Deformation directions obtained from atom-atom potentials: molecular deformations in crystals
Institution:1. Department of Engineering, University of Almeria, Carretera de Sacramento s/n, 04120 Almeria, Spain;2. CIAIMBITAL (Research Center on Mediterranean Intensive Agrosystems and Agrifood Biotechnology), University of Almeria, 04120 Almeria, Spain;1. School of Civil Engineering, Beijing Jiaotong University, Beijing, 100044, China;2. Beijings'' Key Laboratory of Structural Wind Engineering and Urban Wind Environment, Beijing, 100044, China;1. Department of Psychology, University of Calgary, Calgary, Canada;2. Alberta Children''s Hospital Research Institute, Calgary, Canada;3. Department of Applied Psychology and Human Development, University of Toronto, Toronto, Canada;4. Département des fondements et pratiques en éducation, Université Laval, Quebec City, Canada;1. Department of Materials and Ceramic Engineering, CICECO – Aveiro Institute of Materials, Campus de Santiago, University of Aveiro, 3810-193, Portugal;2. Instituto de Ciencia de Materiales de Madrid, Consejo Superior de Investigaciones Científicas (ICMM-CSIC), Calle Sor Juana Inés de la Cruz, 3, Cantoblanco, 28049 Madrid, Spain;3. Centre for Mechanical Technology & Automation, Department of Mechanical Engineering, Campus de Santiago, University of Aveiro, 3810-193 Aveiro, Portugal
Abstract:Forces of interatomic interactions Fij calculated from atom-atom potentials as -dVij/drij allow us to interpret angular deformations in the ring of sodium p-nitrobenzoate trihydrate. Calculations were made for distances rij between the ith and jth atoms belonging to different species less than the sum of the van der Waals radii of i and j. Calculations are based on very precise X-ray measurement of the cyrstal structure.
Keywords:
本文献已被 ScienceDirect 等数据库收录!
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号