User:Amh110

Wiki Pages

3^rd year computational labs

Module

1: Techniques of molecular mechanics and semi-empirical molecular orbital methods for structural and spectroscopic evaluations

2: Bonding and Molecular Orbitals of Main Group Compounds

Media

Images

Files

File:AHall BH3 OPT.LOG

File:AHall BH3 OPT 631G DP.LOG

File:AHall BH3 OPT 6-31GDP 2.LOG

File:AHALL BH3 FREQ.LOG

File:AHall NH3 ENERGY.LOG

File:AHall NH3 FREQ.LOG

Animations

Media:AHall bh3 vib 1.gif

Media:AHall bh3 vib 2.gif

Media:AHall bh3 vib 3.gif

Media:AHall bh3 vib 4.gif

Media:AHall bh3 vib 5.gif

Media:AHall bh3 vib 6.gif

Media:AHall TlBr3 vib 1.gif

Media:AHall TlBr3 vib 2.gif

Media:AHall TlBr3 vib 3.gif

Media:AHall TlBr3 vib 4.gif

Media:AHall TlBr3 vib 5.gif

Media:AHall TlBr3 vib 6.gif

D-Space files

TlBr₃ Opt DOI:10042/23345

BBr₃ Opt DOI:10042/23346

TlBr₃ Freq DOI:10042/23395

BBr₃ MOs DOI:10042/23403