0336 for windows software (Gaussian inc)
90
Structured Review
Gaussian inc
0336 for windows software
0336 For Windows Software, supplied by Gaussian inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/0336+for+windows+software/0336+for+windows+software/10__1002_slash_aic__12596-111-8-10
Average 90 stars, based on 1 article reviews
0336 For Windows Software, supplied by Gaussian inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/0336+for+windows+software/0336+for+windows+software/10__1002_slash_aic__12596-111-8-10
Average 90 stars, based on 1 article reviews
0336 for windows software - by Bioz Stars,
2026-11
90/100 stars
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Software:Article Title: Converting ab initio energies to enthalpies of formation of free radicals. I. New atom equivalents for alkyl radicals Article Snippet: A simple method is presented to convert ab initio computed total energies to the standard enthalpy of formation (DfH ) of a large number of saturated alkyl radicals (especially those that are relatively highly branched), for which experimental data are scarcely available.. For this purpose a new set of radical atom-equivalents (AEQ) and their unique combinations were defined and the energy values of the latter assigned.. The theory level and the basis set requirement for the quantum chemistry calculation of the molecular energy were found to be moderate. |