Medel R - Search Results

1

Rovibronic signatures of molecular aggregation in the gas phase: subtle homochirality trends in the dimer, trimer and tetramer of benzyl alcohol.

Medel R, Camiruaga A, Saragi RT, Pinacho P, Pérez C, Schnell M, Lesarri A, Suhm MA, Fernández JA. Medel R, et al. Phys Chem Chem Phys. 2021 Oct 27;23(41):23610-23624. doi: 10.1039/d1cp03508h. Phys Chem Chem Phys. 2021. PMID: 34661223

2

Molecular docking via olefinic OH···π interactions: a bulky alkene model system and its cooperativity.

Medel R, Heger M, Suhm MA. Medel R, et al. J Phys Chem A. 2015 Mar 5;119(9):1723-30. doi: 10.1021/jp508424p. Epub 2014 Nov 6. J Phys Chem A. 2015. PMID: 25375242

3

Vibrational Signatures of Chirality Recognition Between α-Pinene and Alcohols for Theory Benchmarking.

Medel R, Stelbrink C, Suhm MA. Medel R, et al. Angew Chem Int Ed Engl. 2019 Jun 11;58(24):8177-8181. doi: 10.1002/anie.201901687. Epub 2019 May 8. Angew Chem Int Ed Engl. 2019. PMID: 30985978

4

The reduced cohesion of homoconfigurational 1,2-diols.

Hartwig B, Lange M, Poblotzki A, Medel R, Zehnacker A, Suhm MA. Hartwig B, et al. Among authors: medel r. Phys Chem Chem Phys. 2020 Jan 22;22(3):1122-1136. doi: 10.1039/c9cp04943f. Phys Chem Chem Phys. 2020. PMID: 31872823

5

Understanding benzyl alcohol aggregation by chiral modification: the pairing step.

Medel R , Suhm MA . Medel R , et al. Phys Chem Chem Phys. 2020 Nov 18;22(44):25538-25551. doi: 10.1039/d0cp04825a. Phys Chem Chem Phys. 2020. PMID: 33169124

6

Predicting OH stretching fundamental wavenumbers of alcohols for conformational assignment: different correction patterns for density functional and wave-function-based methods.

Medel R, Suhm MA. Medel R, et al. Phys Chem Chem Phys. 2021 Mar 11;23(9):5629-5643. doi: 10.1039/d1cp00342a. Phys Chem Chem Phys. 2021. PMID: 33656038

7

Simple models for the quick estimation of ground state hydrogen tunneling splittings in alcohols and other compounds.

Medel R . Medel R . Phys Chem Chem Phys. 2021 Aug 28;23(32):17591-17605. doi: 10.1039/d1cp02115j. Epub 2021 Aug 9. Phys Chem Chem Phys. 2021. PMID: 34369526

8

Hydrogen Delocalization in an Asymmetric Biomolecule: The Curious Case of Alpha-Fenchol.

Medel R, Springborn JR, Crittenden DL, Suhm MA. Medel R, et al. Molecules. 2021 Dec 24;27(1):101. doi: 10.3390/molecules27010101. Molecules. 2021. PMID: 35011331 Free PMC article.

9

Sniffing out camphor: the fine balance between hydrogen bonding and London dispersion in the chirality recognition with α-fenchol.

Quesada-Moreno MM, Fatima M, Medel R, Pérez C, Schnell M. Quesada-Moreno MM, et al. Among authors: medel r. Phys Chem Chem Phys. 2022 Jun 1;24(21):12849-12859. doi: 10.1039/d2cp00308b. Phys Chem Chem Phys. 2022. PMID: 35532923

10

B[double bond, length as m-dash]P double bonds relieved from steric encumbrance: matrix-isolation infrared spectroscopy of the phosphaborene F₂B-P[double bond, length as m-dash]BF and the triradical B[double bond, length as m-dash]PF₃.

Wen M, Medel R, Zasimov PV, Müller C, Riedel S. Wen M, et al. Among authors: medel r. Chem Sci. 2024 Apr 30;15(21):8045-8051. doi: 10.1039/d4sc01913j. eCollection 2024 May 29. Chem Sci. 2024. PMID: 38817554 Free PMC article.

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