Comp Chem 01
(4/9/20, bes)
Welcome to the first of a few lab periods that we will focus on computational chemistry. For all of this work we will be using the WebMO Pro 18.0 software that is linked in the left menu bar on this wiki.
About the Hardware
When I first came to Monmouth in 2007, I negotiated startup funds of $25K, thanks to Doc Kieft who encouraged me to make this request as well as assisted in the negotiations with the Dean and the board of trustees. As a part of these funds, i purchased a MacPro (~$2K) and computational software (see below). This was an Intel-based Mac tower that had a "Quad Core" (two 2.66 GHz dual core) Intel Xeon 5150 processor with 8 MB cache (processor dedicated memory), 8 GB of RAM, and a 250 GB hard drive; over the years multiple hard drives were added. As pchem and research students began to rely on this hardware, I decided to upgrade the hardware in 2017. The new computational server is an iMac Pro ($5K) with an 8-Core, 3.2GHz Intel Xeon W processor with 19 MB cache, 32 GB of RAM, and a 1TB solid-state hard drive.
| Processor | RAM | Hard drive | |
| "Quad Core" (two 2.66 GHz dual core) Intel Xeon 5150 with 8 MB cache (processor dedicated memory) | 8 GB | 250 GB + others | |
| 8-Core, 3.2GHz Intel Xeon W with 19 MB cache | 32 BG | 1 TB SS |
