Implementation of pople basis sets in FIESTA(*) : (the Filipino initiative on electronic structure theory and applications)
The incorporation of Pople basis sets serves as an extension of FIESTA (Filipino Initiative on Electronic Structure Theory and Applications), a computational chemistry software being developed in the Philippines which uses minimal basis sets (STO-1G, STO-2G, STO-3G). The software carries out Hartree...
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Main Authors: | , |
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Format: | text |
Language: | English |
Published: |
Animo Repository
2014
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Subjects: | |
Online Access: | https://animorepository.dlsu.edu.ph/etd_bachelors/5459 |
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Institution: | De La Salle University |
Language: | English |
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