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Toward anharmonic computations of vibrational spectra for large molecular systems

✍ Scribed by Vincenzo Barone; Malgorzata Biczysko; Julien Bloino; Monika Borkowska-Panek; Ivan Carnimeo; Pawel Panek

Book ID
112185568
Publisher
John Wiley and Sons
Year
2011
Tongue
English
Weight
376 KB
Volume
112
Category
Article
ISSN
0020-7608

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✍ Hiroshi Kashiwagi πŸ“‚ Article πŸ“… 1982 πŸ› Elsevier Science 🌐 English βš– 356 KB

A large computer system was designed and established for molecular science under the leadership of molecular scientists. Features of the computer system are an automated operation system and an open self-service system. Large-scale theoretical calculations have been performed to solve many problems