3 тысяч подписчиков
83 видео
New concept of hybridization ||sp hybridization of "C" in Cyclopropane
How to cleave the surface in Materials studio || Gaurav Jhaa
Gaussian calculation using PBS-Script || Dr. Gaurav Jhaa
Design pure metal and metal oxides || Dr. Gaurav Jhaa
How to perform NMR calculation in Gaussian || NMR
How to eliminate negative/imaginary frequency in Gaussian during geometry optimization
How to Make Good Quality Pictures for Publication
How to perform TD DFT calculation in Gaussian
All about DFT+U Hubbard Correction || Dr. Gaurav Jhaa
HOMO-LUMO calculation in Materials Studio and its significance || Dr. Gaurav Jhaa
Full DFT Course - Molecules to Materials
All About TS Calculations and data Analysis || Part 1
How to use the customized basis set |Gen and GenECP| Dr. Gaurav Jhaa
Live NCI Analysis From Scratch Using Gaussian and Multiwfn software
DFT+U || Hubbard Correction in CASTEP (Materials studio)
Elastic constant and other mechanical properties calculations ||Gaurav Jhaa
Band structure calculation using HSE06 || Dr. Gaurav Jhaa
How to design alloy mixtures using VCA method ||Gaurav Jhaa
All the ways to convert .chk file to .fchk/.fch || By: Dr. Gaurav Jhaa
HOMO-LUMO Calculation and Analysis Using DFT method in Gaussian Software || Part 3 || Gaurav Jhaa
How to perform SCAN calculation in Gaussian
How to design big molecules || Dr. Gaurav Jhaa
All About TS Calculations and data Analysis || Part 2
How to increase RAM in your Computer
TD-DFT output file analysis
How to freeze the coordinates in DFT calculation using Gaussian
