Leave a question! – Dr. Joaquin Barroso's Blog
A PBC‐DFT study of electronic properties of substituted polythiophenes - Vikramaditya - 2015 - Journal of Physical Organic Chemistry - Wiley Online Library
Types
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PBC Guide | PDF | Crystal Structure | Condensed Matter Physics
GaussView 6
I am new to DFT and presently using Gaussian 09. I need help for : Atoms outside the crystal and the error message # 2070? | ResearchGate
Advanced Building Techniques
Gaussian 16 Capabilities | Gaussian.com
Crystal
How to calculate volume of a organic molecule in Gaussian? | ResearchGate
GaussView 6
Gaussian Casimir amplitudes ∆ PBC ⊥,G (d, m, n)/n with m = 1, 2, 3,... | Download Scientific Diagram
Modelling Instructions: CAChe
Extrapolation of polymer gap by combining cluster and periodic boundary condition calculations with Hückel theory - ScienceDirect
Setup
Setting Up and Running Gaussian Jobs
Crystal
How to add a non-periodic structure to a model with a periodic structure in an gaussian program? | ResearchGate
Gaussian Input Files | Computational Chemistry Resources
Setup
Using GaussView 6 | Gaussian.com
Gaussian guide | Lee Group @ UOW
