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Introduction to Computational Chemistry, Part 1: Hartree Fock Theory
Hartree–Fock (HF) theory is a foundational approach in quantum chemistry for approximating the solution to the Schrödinger equation in...
prativabehera768
Apr 301 min read
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ONIOM and Its Application
Quantum theory provides the foundational framework for numerous computational methods used to analyze chemical structures and reactions....
prativabehera768
Apr 262 min read
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Desulfurization of liquid fuels over activated carbons
The combustion of fossil fuels in automobiles and several industries release toxic gases of oxides of sulfur and CO2Â to the environment....
prativabehera768
Apr 262 min read
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