Dr. Qin Yang, Dr.

Všechny publikace

Vybrané publikace

Všechny publikace

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

E. Andris M. Straka M. Dračínský Q. Yang J. Roithová L. Rulíšek

Inorganic Chemistry 64 (50): 24411–24422 (2025)

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

C. Chen I. Weber Q. Yang Y. Lee

Physical Chemistry Chemical Physics 27 (45): 24607–24619 (2025)

Black-Box Simulations of Anharmonic Vibrational Chiroptical Spectra: Problems with Property Third Derivatives and the Solvent\r\n

Q. Yang V. Andrushchenko J. Hudecová J. Kapitán J. Bloino I. Bowker P. Bouř

Journal of Chemical Theory and Computation 21 (20): 10489–10502 (2025)

Reliable Modeling of Anharmonic Spectra Line-Shapes from VPT2 and Hybrid QM Models: IR Spectrum of Uracil as a Test Case

R. Xu Q. Yang J. Bloino M. Biczysko

Journal of Physical Chemistry A 129 (26): 5860–5880 (2025)