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1.
Rotational spectra and semi-experimental structures of furonitrile and its water cluster.
Phys Chem Chem Phys
; 25(45): 31281-31291, 2023 Nov 22.
Artículo
Inglés
| MEDLINE | ID: mdl-37955344
2.
Rotational Spectra of Unsaturated Carbon Chains Produced by Pyrolysis: The Case of Propadienone, Cyanovinylacetylene, and Allenylacetylene.
J Phys Chem A
; 126(36): 6210-6220, 2022 Sep 15.
Artículo
Inglés
| MEDLINE | ID: mdl-36044202
3.
Spectroscopic Characterization of 3-Aminoisoxazole, a Prebiotic Precursor of Ribonucleotides.
Molecules
; 27(10)2022 May 20.
Artículo
Inglés
| MEDLINE | ID: mdl-35630755
4.
Extending the Applicability of the Semi-experimental Approach by Means of "Template Molecule" and "Linear Regression" Models on Top of DFT Computations.
J Phys Chem A
; 125(45): 9904-9916, 2021 Nov 18.
Artículo
Inglés
| MEDLINE | ID: mdl-34752702
5.
Unveiling Bifunctional Hydrogen Bonding with the Help of Quantum Chemistry: The Imidazole-Water Adduct as Test Case.
J Phys Chem A
; 125(14): 2989-2998, 2021 Apr 15.
Artículo
Inglés
| MEDLINE | ID: mdl-33818109
6.
A Journey from Thermally Tunable Synthesis to Spectroscopy of Phenylmethanimine in Gas Phase and Solution.
Chemistry
; 26(65): 15016-15022, 2020 Nov 20.
Artículo
Inglés
| MEDLINE | ID: mdl-32717136
7.
Theory meets experiment for elucidating the structure and stability of non-covalent complexes: water-amine interaction as a proof of concept.
Phys Chem Chem Phys
; 22(9): 5024-5032, 2020 Mar 04.
Artículo
Inglés
| MEDLINE | ID: mdl-32073087
8.
Rich Collection of n-Propylamine and Isopropylamine Conformers: Rotational Fingerprints and State-of-the-Art Quantum Chemical Investigation.
J Phys Chem A
; 124(7): 1372-1381, 2020 Feb 20.
Artículo
Inglés
| MEDLINE | ID: mdl-31985228
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