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1 Ergebnisse
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Harmonic and anharmonic vibrational computations for biomol..:
Xu, Ruiqin
;
Jiang, Zhongming
;
Yang, Qin
..
Journal of Computational Chemistry. 45 (2024) 21 - p. 1846-1869 , 2024
Link:
https://doi.org/10.1002/jcc.27377
RT Journal T1 <Title>Harmonic and anharmonic vibrational computations for biomolecular building blocks: Benchmarking DFT and basis sets by theoretical and experimental IR spectrum of glycine conformers</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1002_jcc.27377&Exemplar=1&LAN=DE A1 Xu, Ruiqin A1 Jiang, Zhongming A1 Yang, Qin A1 Bloino, Julien A1 Biczysko, Malgorzata PB Wiley YR 2024 SN 0192-8651 SN 1096-987X JF Journal of Computational Chemistry VO 45 IS 21 SP 1846 OP 1869 LK http://dx.doi.org/https://doi.org/10.1002/jcc.27377 DO https://doi.org/10.1002/jcc.27377 SF ELIB - SuUB Bremen
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