𝔖 Bobbio Scriptorium
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Chemistry on the computer

✍ Scribed by Head-Gordon, Martin; Artacho, Emilio


Book ID
118737922
Publisher
American Institute of Physics
Year
2008
Tongue
English
Weight
732 KB
Volume
61
Category
Article
ISSN
0031-9228

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Computational chemistry on a PC
✍ Gábor Náray-Szabó; János G. Ángyán; Péter R. Surján; Zsolt Szalóczy; Klára Ösapa 📂 Article 📅 1990 🏛 John Wiley and Sons 🌐 English ⚖ 495 KB

## Abstract We describe a package of some IBM PC programs that may find application in computer‐aided molecular design. PCGEOM constructs and visualizes molecular models from bond lengths, bond angles, and dihedral angles, from Cartesian coordinates, or from stored fragments. It may prepare output