Geometry Optimization and Thermodynamic Properties Calculations Using DFT in Gaussian

In this video, I'm discussing about the geometry optimization process in methane molecule using DFT methods and the B3LYP functional. For molecular modeling, follow this video.    • Molecular Modeling Using Spartan || Gaurav...   https://www.dailymotion.com/video/x8h... Do like and subscribe to the channel. If you have any doubts regarding geometry optimization, don't hesitate to ask. #CASTEP #dmol3 #nanomaterials #dft #dftcalculations #quantumchemistry #dftvideos #dfttutorials #materialsstudio #PES #Gaussian #Gaussview #spartan #forcite #quantumguruji #gauravjhaa #homolumo #dftstudy _______________________________________________________________________________________ Support My Channel by donating a coffee (UPI ID): gauravjhaa17@paytm _______________________________ https://amzn.to/3RYlC0M https://amzn.to/4aLJ3SG https://amzn.to/4871Vts https://amzn.to/488WSZJ https://amzn.to/48iwMDG https://amzn.to/41EEWU1 https://amzn.to/41BGtu8

Frequency Calculation and Analysis Using DFT method in Gaussian Software || Part 2 || Gaurav Jhaa
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Frequency Calculation and Analysis Using DFT method in Gaussian Software || Part 2 || Gaurav Jhaa

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DFT Analysis Using Gaussian & GaussView: HOMO-LUMO, Optimization, Frequencies & UV-Vis Analysis

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GaussView 6 Tutorial 1: Building Molecules

CASTEP Geometry Optimization: Step-by-Step Guide|
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How to Create Input file for Gaussian 09 Calculation and Geometry Optimization

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Geometry optimization using Gaussian software

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Electrostatic Potential (ESP) Surface Calculations and Analysis Using Gaussian || Part 4
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Electrostatic Potential (ESP) Surface Calculations and Analysis Using Gaussian || Part 4

HOMO-LUMO Calculation and Analysis Using DFT method in Gaussian Software || Part 3 || Gaurav Jhaa
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HOMO-LUMO Calculation and Analysis Using DFT method in Gaussian Software || Part 3 || Gaurav Jhaa

VASP Geometry Optimization | Full Tutorial (INCAR, POSCAR, POTCAR, KPOINTS) | #vasp  #DFT
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VASP Geometry Optimization | Full Tutorial (INCAR, POSCAR, POTCAR, KPOINTS) | #vasp #DFT