Computer Perception of Molecular Symmetry
نویسنده
چکیده
A computer code and algorithm are developed for the computer perception of molecular symmetry. The code generates and uses the Euclidian distance matrices of molecular structures to generate the permutationinversion group of the molecule. The permutation-inversion group is constructed as the automorphism group of the Euclidian distance matrix. Applications to several molecular structures and fullerenes such as the Cm buckminsterfullerene and c28 and C24 fullerenes are considered.
منابع مشابه
A Computational Study to Find the Vibrational Modes Connected with Specific Molecular Structures of Calculated Compound
The purpose of this research is to provide a deeper understanding of the planar high- symmetry configuration instability. In the ideal case, the distortion corresponds to the movements of nuclei along normal modes that belong to non-totally symmetric irreps of the high symmertry (HS) point group of molecule. The analysis of the structural distortion from the HS nuclear arrangements of the JT ac...
متن کاملFlipped Classroom Affecting Computer Self-Efficacy and Classroom Perception among High School Students
To explore the effectiveness of using flipped classroom approach, a group of 40 male 10th graders in the city of Babol, selected randomly through cluster sampling, was assigned to two classes one of which was taught using the said approach while in the other the traditional method was implemented. Both groups were pre- and post-tested on computer self-efficacy and classroom perception and then ...
متن کاملThe Effectiveness of Computer Cognitive Games in Reducing Attention Deficit- Hyperactivity Disorder Symptoms and Improving Time Perception in Children
The aim of this study was to investigate the effect of computerized cognitive games on reduction of attention deficit hyperactivity disorder (ADHD) symptoms and time perception in children with ADHD. The present research method was a quasi-experimental pre-test-post-test design with a control group. Thirty students with ADHD were selected through purposeful sampling from elementary school stude...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید
ثبت ناماگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید
ورودعنوان ژورنال:
- Journal of Chemical Information and Computer Sciences
دوره 35 شماره
صفحات -
تاریخ انتشار 1995