Posted on January 10, 2018, in ACS, Computational Chemistry, Crystallography, Drug Delivery, Inorganic Chemistry, NBO, Paper and tagged ACS, Chad Mirkin, Computational Chemistry, drug carrier, drug delivery, Inorganic Chemistry, Macrocycle, NBO, NBODel, Organometallic, paper, Papers, Platinum, Weak Link Approach, WLA. Bookmark the permalink. 1 Comment.
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Sudip Kumar DasHi, I am having trouble using your python script. I am using the Gaussian output file for Fukui inde
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Mhamad HantroThank you for this very useful blog ! If possible, a question I have in mind related to what I'm doi
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ihaiducThanks, very interesting ! Ionel Haiduc
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wylderQuite a useful function! Thank you for posting. Is there a way to further print out the energy and t
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Tendongmo HilaireGood job! Your posts are always helpful and this one is just remarkable. Using this opportunity to r
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Meriem HafiedThank you very much, I find it very useful for my future research
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Percentage of Molecular Orbital Composition – G09,G16 | Dr. Joaquin Barroso's Blog[…] fragment=n label in the coordinates can be used as in BSSE Counterpoise calculations and t
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ZankVery interesting and insightful review
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