ModestyKing
- 142
- 17
Hi there!
Is there an online, hopefully free resource (preferably textbook) that details the process of molecular modeling? Specifically, computationally performing geometry optimizations, vibrational analyses, calculating Raman spectra, detailing the theory behind Hartree-Fock, DFT, post-HF methods, etc? I borrowed "Introduction to Molecular Modeling" by Jan Jensen from a postdoc here (excellent book, looking for something like that), but couldn't keep it forever, and I'd like to have an online resource anyway, easy access.
Two other smaller requests: A resource detailing the Raman active modes of hydrocarbons (polycyclic aromatic molecules, chain molecules, and others like stearic acid) would be great, as well as a resource that puts the theory behind DFT in simple terms (I haven't taken QM yet but I really should understand what I'm doing research on xD)
Thanks!
Is there an online, hopefully free resource (preferably textbook) that details the process of molecular modeling? Specifically, computationally performing geometry optimizations, vibrational analyses, calculating Raman spectra, detailing the theory behind Hartree-Fock, DFT, post-HF methods, etc? I borrowed "Introduction to Molecular Modeling" by Jan Jensen from a postdoc here (excellent book, looking for something like that), but couldn't keep it forever, and I'd like to have an online resource anyway, easy access.
Two other smaller requests: A resource detailing the Raman active modes of hydrocarbons (polycyclic aromatic molecules, chain molecules, and others like stearic acid) would be great, as well as a resource that puts the theory behind DFT in simple terms (I haven't taken QM yet but I really should understand what I'm doing research on xD)
Thanks!