Sfoglia per Autore JIANG, Zhongming
Mostrati risultati da 1 a 4 di 4
Toward accurate prediction of amino acid derivatives structure and energetics from DFT: glycine conformers and their interconversions
2020 Shu, Chong; Jiang, Zhongming; Biczysko, Malgorzata
Accounting for Molecular Flexibility in Photoionization: Case of tert-Butyl Hydroperoxide
2022 Bourgalais, Jérémy; Jiang, Zhongming; Bloino, Julien; Herbinet, Olivier; Carstensen, Hans-Heinrich; Garcia, Gustavo Adolfo; Arnoux, Pilippe; Tran, Luc Sy; Vanhove, Guillaume; Nahon, Laurent; Battin-Leclerc, Frédérique; Hochlaf, Majdi
Modulation of π character upon complexation captured by molecular rotation spectra
2022 Zheng, Yang; Yang, Qin; Herbers, Sven; Cheng, Wanying; Jiang, Zhongming; Wang, Hao; Xu, Xuefang; Bloino, JULIEN ROLAND MICHEL; Gou, Qian
Harmonic and anharmonic vibrational computations for biomolecular building blocks: Benchmarking DFT and basis sets by theoretical and experimental IR spectrum of glycine conformers
2024 Xu, Ruiqin; Jiang, Zhongming; Yang, Qin; Bloino, Julien; Biczysko, Malgorzata
| Titolo | Data di pubblicazione | Autori | Tipo | File |
|---|---|---|---|---|
| Toward accurate prediction of amino acid derivatives structure and energetics from DFT: glycine conformers and their interconversions | 2020 | Jiang, Zhongming + | 1.1 Articolo in rivista | |
| Accounting for Molecular Flexibility in Photoionization: Case of tert-Butyl Hydroperoxide | 2022 | Jiang, ZhongmingBloino, Julien + | 1.1 Articolo in rivista | |
| Modulation of π character upon complexation captured by molecular rotation spectra | 2022 | Qin YangZhongming JiangJulien Bloino + | 1.1 Articolo in rivista | |
| Harmonic and anharmonic vibrational computations for biomolecular building blocks: Benchmarking DFT and basis sets by theoretical and experimental IR spectrum of glycine conformers | 2024 | Jiang, ZhongmingYang, QinBloino, Julien + | 1.1 Articolo in rivista |
Mostrati risultati da 1 a 4 di 4
Legenda icone
- file ad accesso aperto
- file disponibili sulla rete interna
- file disponibili agli utenti autorizzati
- file non ad Accesso aperto
- file sotto embargo
- nessun file disponibile