Vibrational infrared and Raman spectra of HCOOH from variational computations Vibrational infrared and Raman spectra of HCOOH from variational computations Authors: G. Avila, A. Martín Santa Daría, E. Mátyus Ref. Phys. Chem. Chem. Phys., (2023) https://doi.org/10.1039/D3CP00541K
Bioluminescence, Photophysical, Computational and Molecular Docking Studies of Fully Conformationally Restricted Enamine Infraluciferin Bioluminescence, Photophysical, Computational and Molecular Docking Studies of Fully Conformationally Restricted Enamine Infraluciferin Authors: C. Chang, S. Gómez, D. M. Fontaine, P. Fikas, B. R. Branchini, and J. C. Anderson Ref. Org. Biomol. Chem., 21, 2941-2949, (2023) https://doi.org/10.1039/D3OB00247K
Cold collisions of ro-vibrationally excited D2 molecules Cold collisions of ro-vibrationally excited D2 molecules Authors: J. Croft, P. G. Jambrina, F. J. Aoiz, H. Guo, N. Balakrishnan Ref. J. Phys. Chem. A, 127(7), 1619-1627, (2023) https://doi.org/10.1021/acs.jpca.2c08855
The CH-3 Sigma+ Anion: Inelastic Rate Coefficients from Collisions with He at Interstellar Conditions The CH-3 Sigma+ Anion: Inelastic Rate Coefficients from Collisions with He at Interstellar Conditions Authors: J. A. de la Fuente, C. Sanz-Sanz, L. Gonzalez-Sanchez, E. Yurtsever, R. Wester, and F. A. Gianturco Ref. J. Phys. Chem. A, 130(3), 033002, (2023) https://doi.org/10.1021/acs.jpca.2c08021
Stereodynamical Control of Cold Collisions between Two Aligned D2 Molecules Stereodynamical Control of Cold Collisions between Two Aligned D2 Molecules Authors: Pablo G. Jambrina, J. F. E. Croft, J. Zuo, H. Guo, N. Balakrishnan, F. J. Aoiz Ref. Phys. Rev. Lett., 130(3), 033002, (2023) https://doi.org/10.1103/PhysRevLett.130.033002
Do we need delocalised wavefunctions in the excited state dynamics of 1,1-difluoroethylene? Do we need delocalised wavefunctions in the excited state dynamics of 1,1-difluoroethylene? Authors: S. Gómez, N. Singer, G. A. Worth, L. González Ref. Canadian Journal of Chemistry, (2023) https://doi.org/10.1139/cjc-2022-0267
Rotational state-changes in C5N− by collisions with He and H2 Rotational state-changes in C5N− by collisions with He and H2 Authors: R. Biswas, K. Giri, L. González-Sánchez, F. A. Gianturco, U. Lourderaj, N. Sathyamurthy, A. Veselinova, E. Yurtsever, R. Wester Ref. Monthly Notices of the Royal Astronomical Society, 522 (4), 5775–5787 (2023) https://doi.org/10.1093/mnras/stad1261
Spin-Forbidden addition of molecular oxygen to stable enol intermediates-decarboxylation of 2-Methyl-1-tetralone-2-carboxylic acid Spin-Forbidden addition of molecular oxygen to stable enol intermediates-decarboxylation of 2-Methyl-1-tetralone-2-carboxylic acid Authors: P. Ortega, S. Gil-Guerrero, L. González-Sánchez, C. Sanz-Sanz and P. G. Jambrina Ref. Int. J. Mol. Sci., 24(8), 7424 (2023) https://doi.org/10.3390/ijms24087424