Qin Yang

9PUBLICATIONS
24CO-AUTHORS
Main group metal chemistryOrganometallic chemistryNonlinear optics and spectroscopyTheoretical quantum chemistryAnalytical spectrometry
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Journal

Publications (9)

|Dec 08, 2025
Can Silver(I) Act as a Hydrogen-Bond Acceptor? Spectroscopic and Computational Exploration of the Ag···H+ Bonds in the Gas Phase and in Solvent.

Erik Andris, Michal Straka, Martin Dračínský

|Nov 07, 2025
Fluorescence excitation and dispersed fluorescence spectra of iso-quinolinyl radicals 4-, 5-, and 8-iso-HC9H7N isolated in solid para-hydrogen.

Chun-Kai Chen, Isabelle Weber, Qin Yang

|Oct 13, 2025
Black-Box Simulations of Anharmonic Vibrational Chiroptical Spectra: Problems with Property Third Derivatives and the Solvent.

Qin Yang, Valery Andrushchenko, Jana Hudecová

|Jun 25, 2025
Reliable Modeling of Anharmonic Spectra Line-Shapes from VPT2 and Hybrid QM Models: IR Spectrum of Uracil as a Test Case.

Ruiqin Xu, Qin Yang, Julien Bloino

|Jul 31, 2024
Raman optical activity study of deuterated sugars: deuterium labelling as a tool for structural analysis.

Tohru Taniguchi, Davidson Obinna Agbo, Qin Yang

|Apr 29, 2024
Harmonic and anharmonic vibrational computations for biomolecular building blocks: Benchmarking DFT and basis sets by theoretical and experimental IR spectrum of glycine conformers.

Ruiqin Xu, Zhongming Jiang, Qin Yang

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Frequent Collaborators

6 joint publications

Julien Bloino

3 joint publications

Petr Bouř

2 joint publications

Malgorzata Biczysko

2 joint publications

Josef Kapitán