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Hubert Valencia
Dear ACS member,   As a theoretical chemistry student, and also at a later stage, I often encounter some difficulties in finding some central place to access important information such as: * international job opportunities; * conferences, meetings, workshops; * latest developments in the field...   Today I would like to introduce the ,… (Show more)
in Theoretical Chemistry
Hubert Valencia
Dear members of the ACS community,   As a sequel of the previous document "Some Simulation Software" I would like to share a potpourri of some of the interesting visualization software I have encountered and worked with.   As always, I hope that theoretical chemists could share their experiences with some of them and feel free to expand this…
in Theoretical Chemistry
Hubert Valencia
Density functional theory (DFT) is a powerful technique used in theoretical chemistry (and physics) that unfortunately can be quite difficult to explain.   A short (yet complete) introduction to DFT is given by Klaus Capelle as a very nice, freely accessible, educational material. https://arxiv.org/abs/cond-mat/0211443   It also happen to be… (Show more)
in Theoretical Chemistry
Hubert Valencia
Dear members of ACS community,   I though it would be nice if theoretical chemists could share a compilation of some interesting simulation software. This is why I propose this - admittedly quite small - list of some of the codes I have been using or that I have worked with.   Please feel free to expand or correct this document and/or to…
in Theoretical Chemistry
Hubert Valencia
Greeting to all members of ACS community! I am proud to announce that the theoretical chemistry group page has just been started! I hope that this could be a great place to share some nice ideas / content.   Anyone is welcome to participate, please don't hesitate!   Sincerely,   -- Hubert OKADOME VALENCIA  
in Theoretical Chemistry