Qin Yang

Publication Activity (10 Years)

Years Active: 2022-2024
Publications (10 Years): 7

Top Topics

High Resolution

Crystal Structure

Molecular Dynamics

Top Venues

Physical chemistry chemical physics : PCCP

Journal of computational chemistry

The journal of physical chemistry. A

This page only lists publications with an associated author ORCID identifier.

Publications

Tohru Taniguchi, Davidson Obinna Agbo, Qin Yang, Josef Kapitán, Tao Wu, Shuki Oyama, Shuji Akai, Yoshinari Sawama, Petr Bouř
Raman optical activity study of deuterated sugars: deuterium labelling as a tool for structural analysis. Physical chemistry chemical physics : PCCP (2024)
Ruiqin Xu, Zhongming Jiang, Qin Yang, Julien Bloino, Malgorzata Biczysko
Harmonic and anharmonic vibrational computations for biomolecular building blocks: Benchmarking DFT and basis sets by theoretical and experimental IR spectrum of glycine conformers. Journal of computational chemistry 45 (21) (2024)
Ruiqin Xu, Zhongming Jiang, Qin Yang, Julien Bloino, Malgorzata Biczysko
Harmonic and anharmonic vibrational computations for biomolecular building blocks: Benchmarking DFT and basis sets by theoretical and experimental IR spectrum of glycine conformers. Journal of computational chemistry 45 (21) (2024)
Tohru Taniguchi, Davidson Obinna Agbo, Qin Yang, Josef Kapitán, Tao Wu, Shuki Oyama, Shuji Akai, Yoshinari Sawama, Petr Bouř
Raman optical activity study of deuterated sugars: deuterium labelling as a tool for structural analysis. Physical chemistry chemical physics : PCCP 26 (32) (2024)
Ruiqin Xu, Zhongming Jiang, Qin Yang, Julien Bloino, Malgorzata Biczysko
Harmonic and anharmonic vibrational computations for biomolecular building blocks: Benchmarking DFT and basis sets by theoretical and experimental IR spectrum of glycine conformers. Journal of computational chemistry (2024)
Qin Yang, Julien Bloino
An Effective and Automated Processing of Resonances in Vibrational Perturbation Theory Applied to Spectroscopy. The journal of physical chemistry. A (2022)
Yang Zheng, Qin Yang, Sven Herbers, Wanying Cheng, Zhongming Jiang, Hao Wang, Xuefang Xu, Julien Bloino, Qian Gou
Modulation of π character upon complexation captured by molecular rotation spectra. Physical chemistry chemical physics : PCCP 24 (18) (2022)