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tutorial program crystal bagian 5

assalamu’alaikum warahmatullahi wabarakatuh..

kali ini kita akan membahas visualisasi hasil dari program crystal menggunakan jmol. sebagai catatan versi jmol yang baru terkadang tidak dapat menampilkan hasil dari program crystal dengan baik, jadi sebaiknya kita mencoba beberapa versi jmol sehingga nanti ketemu versi jmol yang pas. 245 more words

Kimia Komputasi

Having Contractions!

One of the major advantages of having environmental control on our microscopes at the CCI, is that you can get cells to behave a… 838 more words


The Central Limit Theorem

The Central Limit Theorem says that for any data(normal or otherwise), the distribution of the sample means has an approximately normal distribution. In the history of statistics, this has simplified the development of sampling methods, statistical tests, and statistical algorithms. 266 more words


Efficient use of the clipboard on GaussView

Editing large molecules on a seemingly simple visualizer as GaussView can be a bit daunting. I’m working on a follow up of that project we… 264 more words

White Papers

Resolving Disputes

Super-resolution has been receiving a lot of press in the last 6 months, largely given the 2014 Nobel prize to Betzig, Hell and Moerner “ 644 more words


Checking on geometry optimisations in Gaussian.

This is a useful oneliner that uses egrep to check on the status of a geometry optimisation. It is taken from Exploring chemistry with electronic structure methods: a guide to using Gaussian*, a very useful, albeit old, book about Gaussian 98. 84 more words

Computational Chemistry

A Simple Gaussian-based Anomaly Detection Kernel in R

http://en.wikipedia.org/wiki/Anomaly_detection: In data mining, anomaly detection (or outlier detection) is the identification of items, events or observations which do not conform to an expected pattern or other items in a…

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