Tobón, P.; Gómez, Sara; Restrepo, A.; Núñez-Zarur, F.:
Role of Substrate Substituents in Alkene Metathesis Mediated by a Ru Alkylidene Catalyst. En: Organometallics, ISSN: 1520-6041, ACS Publications V.40, 2021, p.119¿133
Gómez, Sara; Rojas-Valencia, N.; Gómez, S. A.; Cappelli, C.; Merino, G.; Restrepo, A.:
A Molecular Twist on Hydrophobicity. En: Chem. Sci., ISSN: 2041-6539, Royal Society of Chemistry V.12, 2021, p.9233¿9245.
Uribe, L.; Gómez, Sara; Giovannini, T.; Egidi, F.; Restrepo, A.:
An Efficient and Robust Procedure to Calculate Absorption Spectra of Aqueous Charged Species Applied to NO2¿ En: Phys. Chem. Chem. Phys., ISSN: 1463-9084, Royal Society of Chemistry V.23, 2021, p.14857¿14872
Rojas-Valencia, N.; Gómez, Sara; Núñez-Zarur, F.; Cappelli, C.; Hadad, C.; Restrepo, A.:
Thermodynamics of Naproxen Insertion into Membranes. En: J. Phys. Chem. B, ISSN: 1520-5207, ACS Publications V.125, 2021, p.10383¿10391.
Gómez, S. A.; Rojas-Valencia, N.; Gómez, Sara; Cappelli, C.; Restrepo, A.:
Role of Spike Protein Mutations in SARS-CoV-2 Variants. En: ChemBioChem, ISSN: 1439-7633, Chemistry Europe V.23, 2021, e202100393.
David, J.; Gómez, Sara; Guerra, D.; Guerra, D.; Restrepo, A.:
A Comprehensive Picture of the Structures, Energies, and Bonding in the Alanine Dimers. En: ChemPhysChem, ISSN: 1439-7641, Chemistry Europe V.22, 2021, p.2401¿2412.
Gómez, Sara; Egidi, F.; Puglisi, A.; Giovannini, T.; Rossi, B.; Cappelli, C.:
Unlocking the Power of Resonance Raman Spectroscopy. En: J. Mol. Liq., ISSN: 1873-3166, Science Direct V.346, 2021, e117841.
Flórez, E.; Acelas, N.; Gómez, Sara; Hadad, C.; Restrepo, A.:
To Be or Not to Be? That Is the Entropic, Enthalpic, and Molecular Interaction Dilemma in the Formation of (Water)20 Clusters and Methane Clathrate. En: ChemPhysChem, ISSN: 1439-7641, Chemistry Europe V.23, 2022, e202100716.
Gómez, Sara; Rojas-Valencia, N.; Restrepo, A.:
Analysis of Conformational Preferences in Caffeine. En: Molecules, ISSN: 1420-3049, MDPI Publications V.27, 2022, e1937.
Gómez, Sara; Rojas-Valencia, N.; Giovannini, T.; Restrepo, A.; Cappelli, C.:
Ring Vibrations to Sense Anionic Ibuprofen in Aqueous Solution as Revealed by Resonance Raman, En: Molecules, ISSN: 1420-3049, MDPI Publications V.27, 2022, e442.
Lafiosca, P.; Gómez, Sara; Giovannini, T.; Cappelli, C.:
Absorption Properties of Large Complex Molecular Systems: The DFTB/Fluctuating Charge Approach. En: J. Chem. Theory Comput., ISSN: 1549-9626, V.18, 2022, p.1765¿1779.
Uribe, L.; Gómez, Sara; Egidi, F.; Giovannini, T.; Restrepo, A.:
Computational Hints for the Simultaneous Spectroscopic Detection of Common Contaminants in Water. En: J. Mol. Liq., ISSN: 1873-3166, Science Direct V.355, e118908.
Gómez, Sara; Bottari, C.; Egidi, F.; Giovannini, T.; Rossi, B.; Cappelli, C.:
Amide Spectral Fingerprints are Hydrogen Bonding-Mediated. En: J. Phys. Chem. Lett., ISSN: 1948-7185, ACS Publications V.13, 2022, p.6200¿6207.
Flórez, E.; Gómez, Sara; Acelas, N.; Hadad, C.; Restrepo, A.:
Microsolvation versus Encapsulation in Mono, Di, and Trivalent Cations. En: ChemPhysChem, ISSN: 1439-7641, Chemistry Europe V.23, 2022, e202200456.
Gómez, S. A.; Rojas-Valencia, N.; Gómez, Sara; Lans, I.; Restrepo, A.:
Initial Recognition and Attachment of the Zika Virus to Host Cells. En: ChemBioChem, ISSN: 1439-7633, Chemistry Europe V.23, 2022, e202200351.
Arias, A.; Gómez, Sara; Rojas-Valencia, N.; Núñez-Zarur, F.; Cappelli, C.; Murillo-López, J. A.; Restrepo, A.:
Formation and evolution of C¿C, C¿O, C=O and C¿N bonds in chemical reactions of prebiotic interest. En: RSC Adv., ISSN: 2046-2069, Royal Society of Chemistry V.12, 2022, p.28804¿28817.
Goletto, L.; Gómez, Sara; Andersen, J.; Koch, H.; Giovannini, T.:
Linear Response Properties of Solvated Systems: A Computational Study. En: Phys. Chem. Chem. Phys., ISSN: 1463-9084, Royal Society of Chemistry V.24, 2022, p.27866¿27878.
Gómez, S.; Gómez, Sara; David, J.; Guerra, D.; Cappelli, C.; Restrepo, A.:
Dissecting Bonding Interactions in Cysteine Dimers. En: Molecules, ISSN: 1420-3049, MDPI Publications V.27, 2022, e8665.
Gómez, Sara; Giovannini, T.; Cappelli, C.:
Multiple Facets of Modeling Electronic Absorption Spectra of Systems in Solution. En: ACS Phys. Chem. Au, ISSN: 2694-2445, ACS Publications V.3, 2023, p.1¿16.
Gómez, Sara; Lafiosca, P.; Egidi, F.; Giovannini, T.; Cappelli, C.:
UV-Resonance Raman Spectra of Doxorubicin Intercalated into DNA. En: J. Chem. Inf. Model., ISSN: 1549-960X, ACS Publications V.63, 2023, p.1208¿1217.
Gómez, Sara; Rojas-Valencia, N.; Toro-Labbé, A.; Restrepo, A.:
The Transition State Region in Non-Synchronous Concerted Reactions. En: , ISSN: 1089-7690, AIP Publications V.158, 2023, e084109.
Rojas-Valencia, N.; Gómez, Sara; Giovannini, T.; Cappelli, C.; Restrepo, A.:
Water Maintains the UV¿Vis Spectral Features during the Insertion of Naproxen and Ibuprofen into Model Cell Membranes. En: J. Phys. Chem. B, ISSN: 1520-5207, ACS Publications V.127, 2023, p.2146¿2155.
Gómez, Sara; Flórez, E.; Acelas, N.; Hadad, C.; Restrepo, A.:
Encapsulation of Astatide by a Water Cage. En: Phys. Chem. Chem. Phys., ISSN: 1463-9084, Royal Society of Chemistry V.25, 2023, p.12284¿12289.
Hernández, J. G.; Ardila-Fierro, K. J.; Gómez, Sara; Stolar, T.; Rub¿i¿, M.; et al.:
The Role of Crystalline Intermediates in Mechanochemical Cyclorhodation Reactions. En: Chem. Eur. J., ISSN: 1521-3765, Chemistry Europe V.29, 2023, e202301290.
Sepali, C.; Lafiosca, P.; Gómez, Sara; Giovannini, T.; Cappelli, C.:
Effective Fully Polarizable QM/MM Approaches to Compute Raman and Raman Optical Activity Spectra in Aqueous Solution. En: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, ISSN: 1873-3557, Science Direct V.305, 2023, e123485.
Sodomaco, S.; Gómez, Sara; Giovannini, T.; Cappelli, C.:
Computational Insights into the Adsorption of Ligands on Gold Nanosurfaces. En: J. Phys. Chem. A, ISSN: 1520-5215, ACS Publications V.127, 2023, p.10282¿10294.
Gómez, Sara; Ambrosetti, M.; Giovannini, T.; Cappelli, C.:
Close-Up Look at Electronic Spectroscopic Signatures of Common Pharmaceuticals in Solution. En: J. Phys. Chem. B, ISSN: 1520-5207, ACS Publications V.128, 2024, p.2432¿2446.
Gómez, Sara; Gómez, S.; Rojas-Valencia, N.; Hernández, J. G.; Ardila-Fierro, K. J.; Gómez, T.; Cárdenas, C.; Hadad, C.; Cappelli, C.; Restrepo, A.:
Interactions and Reactivity in Crystalline Intermediates of Mechanochemical Cyclorhodation Reactions. En: Phys. Chem. Chem. Phys., ISSN: 1463-9084, Royal Society of Chemistry V.26, 2024, p.2228¿2241.
Sepali, C.; Gómez, Sara; Grifoni, E.; Giovannini, T.; Cappelli, C.:
Computational Spectroscopy of Aqueous Solutions: The Underlying Role of Conformational Sampling. En: J. Phys. Chem. B, ISSN: 1520-5207, ACS Publications V.128, p.5083¿5091.
Gómez, Sara; Flórez, E.; Acelas, N.; Cappelli, C.; Hadad, C.; Restrepo, A.:
Encapsulation of Charged Halogens by the 512 Water Cage. En: Phys. Chem. Chem. Phys., ISSN: 1463-9084, Royal Society of Chemistry V.26, 2024, p.15426¿15436.
Gómez, Sara; Cappelli, C.:
When Tautomers Matter: UV¿Vis Absorption Spectra of Hypoxanthine in Aqueous Solution from Fully Atomistic Simulations. En: ChemPhysChem, ISSN: 1439-7641, Chemistry Europe V.25, 2024, e202400107.
Gómez, Sara; Cappelli, C.:
The Role of Hydrogen Bonding in the Raman Spectral Signals of Caffeine in Aqueous Solution. En: Molecules, ISSN: 1420-3049, MDPI Publications V.29, 2024, e3035.
Gómez, Sara; Lafiosca, P.; Giovannini, T.:
Modeling UV/Vis Absorption Spectra of Food Colorants in Solution: Anthocyanins and Curcumin as Case Studies. En: Molecules, ISSN: 1420-3049, MDPI Publications V.29, 2024, e4378.
Gómez, Sara; Rojas-Valencia, N.; Cappelli, C.; Weinhold, F.; Restrepo, A.:
Towards a Complete Description of the Reaction Mechanisms between Nitrenium Ions and Water. En: J. Mol. Model., ISSN: 0948-5023, Springer Nature V.30, 2024, e382.
Lafiosca, P.; Gómez, Sara; Melega, L.; Giovannini, T.; Cappelli, C.:
Modeling infrared and vibrational circular dichroism spectra of complex systems. En: Phys. Chem. Chem. Phys., ISSN: 1463-9084, Royal Society of Chemistry V.27, 2025, e11198.
Giovannini, T.; Gómez, Sara; Cappelli, C.:
Modeling Raman Spectra in Complex Environments. En: J. Phys. Chem. Lett., ISSN: 1948-7185, ACS Publications V.16, 2025, e3106.
Vanegas, M. J.; Gómez, Sara; Cappelli, C.; Miscione, G. P.:
Exploring Membrane Cholesterol Binding to the CB1 Receptor. En: J. Phys. Chem. B, ISSN: 1520-5207, ACS Publications V.129, 2025, e4350.
Gallego, V.; Gómez, S.; Gómez, Sara; Galindo, J.; Cappelli, C.; Restrepo, A.; Rojas-Valencia, N.:
The role of non-covalent interactions in the molecular recognition and attachment of the chikungunya virus to the MXRA8 receptor. En: ChemBioChem., ISSN: 1439-7633, Chemistry Europe V.27, 2026, e202500747.
Supovec, L.; Gómez, Sara; Giovannini, T.; Cappelli, C.; Schlücker, S.:
Vibrational Spectroscopy of Triple 13C18O15N Isotope-Edited N-Methylacetamide. En: J. Phys. Chem. A, ISSN: 1520-5215, ACS Publications V.129, 2025, e9777.
Gómez, Sara; Lopera, S.; Restrepo, A.:
Useful Thermodynamic Concepts from the Simple Coin Toss Experiment. En: Phys. Teach., ISSN: 1943-4928, AIP Publications V.64, 2025, e134.
Torres, A.; Cappelli, C.; Restrepo, A.; Alí-Torres, J.; Gómez, Sara.:
Ligand Versatility and Resistance Mechanism of Monotherapy-grade HIV-1 Protease Inhibitor GRL-142 Binding the Multidrug Resistant Variant p51: Insights from 1 ¿s MD Simulations. En: J. Chem. Inf. Model., ISSN: 1549-960X, ACS Publications, 2026.
Gómez, Sara; Guerra, D.; López, J. G.; Toro-Labbé, A.; Restrepo, A.:
A Detailed Look at the Reaction Mechanisms of Substituted Carbenes. En: J. Phys. Chem. A. ISSN: 1520-5215, ACS Publications V.117, 2013, p.1991¿1999
Gómez, Sara; Restrepo, A.; Hadad, C. Z.:
Theoretical Tools to Distinguish O-Ylides from O-Ylidic Complexes in Carbene¿Solvent Interactions. En: Phys. Chem. Chem. Phys. ISSN: 1463-9084, Royal Society of Chemistry V.17, 2015, p.31917¿31930.
Gómez, Sara; Guerra, D.; David, J.; Restrepo, A.:
Structural Characterization of the (MeSH)4 Potential Energy Surface. En: J. Mol. Model. ISSN: 0948-5023, Springer Nature V.19, 2013, p.2173¿2181.
Giraldo, C.; Gómez, Sara; Weinhold, F.; Restrepo, A.:
Insight into the Mechanism of the Michael Reaction. En: ChemPhysChem, ISSN: 1439-7641, Chemistry Europe V.17, 2016, p.2022¿2034.
Gómez, S.; Nafziger, J.; Restrepo, A.; Wasserman, A.:
Partition-DFT on the Water Dimer. En; J. Chem. Phys, ISSN: 1932-7455, AIP Publications V.146, 2017, p. 074106.
Rengifo, E.; Gómez, Sara; Arce, J. C.; Weinhold, F.; Restrepo, A.:
The Role of Hyperconjugation in the Unusual Conformation of Thymine. En: Comput. Theor. Chem., ISSN: 2210-2728, Science Direct V.1130, 2018, p.58¿62.
Farfán, P.; Echeverri, A.; Díaz, E.; Tapia, J.; Gómez, Sara; Restrepo, A.:
Dimers of Formic Acid: Structures, Stability, and Double Proton Transfer. En: J. Chem. Phys, ISSN: 1089-7690, AIP Publications V.147, 2017, p.044312.
Gómez, Sara; Oueis, Y.; Restrepo, A.; Wasserman, A.:
Partition Potential for Hydrogen Bonding in Formic Acid Dimers. En: Int. J. Quantum Chem., ISSN: 1097-461X, Wiley Online Library V.119, 2019, p. 25814.
Llano, S.; Gómez, Sara; Londoño, J.; Restrepo, A.:
Antioxidant Activity of Curcuminoids. En: Phys. Chem. Chem. Phys. ISSN: 1463-9084, Royal Society of Chemistry V.21, 2019, p.3752¿3760.
Farfán, P.; Gómez, Sara; Restrepo, A.:
On the Origins of Stereoselectivity in the Wittig Reaction. En: Chem. Phys. Lett, ISSN: 1873-4448, Science Direct V.728, 2019, p.153¿155.
Gómez, Sara; Restrepo, A.:
Noble Gas Dimers Confined inside C70. En: Phys. Chem. Chem. Phys., ISSN: 1463-9084, Royal Society of Chemistry V.21, 2019, p.15815¿15822.
Farfán, P.; Gómez, Sara; Restrepo, A.:
Dissection of the Mechanism of the Wittig Reaction. En: J. Org. Chem., ISSN: 1520-6904, ACS Publications V.84, 2019, p.14644¿14658.
Rojas-Valencia, N.; Gómez, Sara; Montillo, S.; Manrique-Moreno, M.; Cappelli, C.; Hadad, C.; Restrepo, A.:
Evolution of Bonding during the Insertion of Anionic Ibuprofen into Model Cell Membranes. En: J. Phys. Chem. B, ISSN: 1520-5207, ACS Publications V.124, 2020, p.79¿90
Gómez, Sara; Osorio, E.; Dzib, E.; Islas, R.; Restrepo, A.; Merino, G.:
Revisiting the Rearrangement of Dewar Thiophenes. En: Molecules, ISSN: 1420-3049, MDPI Publications V.25, 2020, e284.
Gómez, Sara; Giovannini, T.; Cappelli, C.:
Absorption Spectra of Xanthines in Aqueous Solution: A Computational Study. En: Phys. Chem. Chem. Phys., ISSN: 1463-9084, Royal Society of Chemistry V.22, 2020, p.5929¿5941.
Rojas-Valencia, N.; Gómez, Sara; Guerra, D.; Restrepo, A.:
A Detailed Look at the Bonding Interactions in the Microsolvation of Monoatomic Cations. En: Phys. Chem. Chem. Phys., ISSN: 1463-9084, Royal Society of Chemistry V.22, 2020, p.13049¿13061.
Gómez, Sara; Ramírez-Malule, H.; Cardona-G., W.; Osorio, E.; Restrepo, A.:
Double-Ring Epimerization in the Biosynthesis of Clavulanic Acid. En: J. Phys. Chem. A, ISSN: 1520-5215, ACS Publications V.124, 2020, p.9413¿9426.
Gómez, S. A.; Rojas-Valencia, N.; Gómez, Sara; Egidi, F.; Cappelli, C.; Restrepo, A.:
Binding of SARS¿CoV¿2 to Cell Receptors: A Tale of Molecular Evolution. En: ChemBioChem, ISSN: 1439-7633, Chemistry Europe V.22, 2021, p.724¿732.
