| 1 | Synthesis of a new water-soluble highly Fe(III)-selective fluorescent chemosensor based on 4H-quinolizin-4-one | Coautor: Guevara-Vela, JM, Gallardo-Rosas, D, Rosales-Vázquez, LD, Sandoval-Chávez, CI, et al. | 2025 | JOURNAL OF MOLECULAR STRUCTURE | WoS-id: 001372250600001
Scopus-id: 2-s2.0-85210533738
| 1 | 1 |
| 2 | Structural evolution and bonding within molybdenum-doped tin clusters MoSnn (n=2-15) | 1ᵉʳ autor: Guevara-Vela, JM, Gallegos, M, Francisco, E, Pendás, AM, et al. | 2025 | INORGANICA CHIMICA ACTA | WoS-id: 001385931100001
Scopus-id: 2-s2.0-85211631232
| 0 | 0 |
| 3 | Effect of Explicit Hydration on the Cisplatin Reaction Mechanism with Adenine and Guanine | 2ᵒ autor: Guevara-Vela, JM, Salazar-Barrientos, JI, García-Revilla, MA, Francisco, E, et al. | 2025 | Molecules | WoS-id: 001418578300001
Scopus-id: 2-s2.0-85217746194
| 0 | 0 |
| 4 | Synthesis of Functionalized Tetrasubstituted Allenes by the Addition of Bis(trimethylsilyl)ketene Acetals to Ynones Catalyzed by Gold(I) | Coautor: Guevara-Vela J.M., Rosales-Amezcua S.C., Ballinas-Indili R., López-Reyes M.E., et al. | 2024 | JOURNAL OF ORGANIC CHEMISTRY | WoS-id: 001167247300001
Scopus-id: 2-s2.0-85185595397
| 0 | 0 |
| 5 | Aqueous microsolvation of bivalent Cu, Zn and Cd. Quantum chemical topology analyses of cooperativity, anticooperativity and covalency | 2ᵒ autor: Guevara-Vela J.M., Bahena-Méndez C.E., Rocha-Rinza T. | 2024 | JOURNAL OF MOLECULAR LIQUIDS | WoS-id: 001173738500001
Scopus-id: 2-s2.0-85183450257
| 1 | 3 |
| 6 | Structure and isomerization behavior relationships of new push-pull azo-pyrrole photoswitches | 2ᵒ autor: Guevara-Vela J.M., Gallardo-Rosas D., Rocha-Rinza T., Toscano R.A., et al. | 2024 | ORGANIC & BIOMOLECULAR CHEMISTRY | WoS-id: 001217169000001
Scopus-id: 2-s2.0-85192434013
| 2 | 2 |
| 7 | Does Aromaticity Play a Role in Electronic and Structural Properties of YBn (n=2-14) Clusters? | 2ᵒ autor: Guevara-Vela, JM, Gallegos, M, Costales, A, Rocha-Rinza, T, et al. | 2024 | Chemphyschem | WoS-id: 001336660900001
Scopus-id: 2-s2.0-85206391099
| 0 | 0 |
| 8 | Atoms in molecules in real space: a fertile field for chemical bonding | Coautor: Guevara-Vela, Jose Manuel, Martin Pendas, Angel, Francisco, Evelio, Suarez, Dimas, et al. | 2023 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000960690400001
Scopus-id: 2-s2.0-85152095185
| 23 | 23 |
| 9 | Wave function analyses of scandium-doped aluminium clusters, AlnSc (n=1-24), and their CO2 fixation abilities | 1ᵉʳ autor: Guevara-Vela, Jose Manuel, Sauza-de la Vega, Arturo, Gallegos, Miguel, Martin Pendas, Angel, et al. | 2023 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 001023708800001
Scopus-id: 2-s2.0-85165255339
| 5 | 8 |
| 10 | On the structure and electronic properties of Ptn clusters: new most stable structures for n=16-17 | 1ᵉʳ autor: Guevara-Vela, Jose Manuel, Rocha-Rinza, Tomas, Rodriguez-Kessler, Peter L., Munoz-Castro, Alvaro | 2023 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 001089292300001
Scopus-id: 2-s2.0-85175193391
| 4 | 6 |
| 11 | Stronger-together: The cooperativity of aurophilic interactions | 1ᵉʳ autor: Guevara-Vela J.M., Hess K., Rocha-Rinza T., Martín Pendás Á., et al. | 2022 | CHEMICAL COMMUNICATIONS | WoS-id: 000739858400001
Scopus-id: 2-s2.0-85123901666
| 14 | 14 |
| 12 | NNAIMQ: A neural network model for predicting QTAIM charges | 2ᵒ autor: Guevara-Vela, Jose Manuel, Gallegos, Miguel, Pendas, angel Martin | 2022 | JOURNAL OF CHEMICAL PHYSICS | WoS-id: 000740826400020
Scopus-id: 2-s2.0-85123047297
| 12 | 10 |
| 13 | Computation of photovoltaic and stability properties of hybrid organic-inorganic perovskites via convolutional neural networks | 2ᵒ autor: Manuel Guevara-Vela, Jose, Alexander Aristizabal-Ferreira, Victor, Sauza-de la Vega, Arturo, Martin Pendas, Angel, et al. | 2022 | THEORETICAL CHEMISTRY ACCOUNTS | WoS-id: 000773935400001
Scopus-id: 2-s2.0-85127295104
| 2 | 3 |
| 14 | Partition of the electronic energy of the PM7 method via the interacting quantum atoms approach | 2ᵒ autor: Guevara-Vela, Jose Manuel, Salazar-Lozas, Hugo, Pendas, Angel Martin, Francisco, Evelio, et al. | 2022 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000837390800001
Scopus-id: 2-s2.0-85135694602
| 1 | 1 |
| 15 | A QCT View of the Interplay between Hydrogen Bonds and Aromaticity in Small CHON Derivatives | Coautor: Guevara-Vela J.M., Gallegos M., Barrena-Espés D., Rocha-Rinza T., et al. | 2022 | Molecules | WoS-id: 000856868500001
Scopus-id: 2-s2.0-85138421878
| 5 | 5 |
| 16 | Binding Energy Partition of Promising IRAK-4 Inhibitor (Zimlovisertib) for the Treatment of COVID-19 Pneumonia | 2ᵒ autor: Guevara-Vela J.M., Zapata-Acevedo, Cesar A., Popelier P.L.A., Rocha-Rinza, Tomas | 2022 | Chemphyschem | WoS-id: 000869550900001
Scopus-id: 2-s2.0-85140077554
| 4 | 5 |
| 17 | The nature of the intermolecular interaction in (H2X)(2) (X = O, S, Se) | 2ᵒ autor: Guevara-Vela, Jose Manuel, Fernandez-Alarcon, Alberto, Casals-Sainz, Jose Luis, Francisco, Evelio, et al. | 2021 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000641279700001
Scopus-id: 2-s2.0-85105204945
| 2 | 4 |
| 18 | Cooperativity and Anticooperativity in Ion-Water Interactions: Implications for the Aqueous Solvation of Ions | Coautor y autor de correspondencia: Guevara-Vela, Jose Manuel, Sauza-de la Vega, Arturo, Rocha-Rinza, Tomas | 2021 | Chemphyschem | WoS-id: 000651132600001
Scopus-id: 2-s2.0-85105916110
| 14 | 16 |
| 19 | Structural Diversity and Argentophilic Interactions in Small Phosphine Silver(I) Thiolate Clusters | 2ᵒ autor: Guevara-Vela, Jose Manuel, Caballero-Munoz, Alejandra, Fernandez-Alarcon, Alberto, Valentin-Rodriguez, Monica A., et al. | 2021 | EUROPEAN JOURNAL OF INORGANIC CHEMISTRY | WoS-id: 000659408000001
Scopus-id: 2-s2.0-85107441927
| 12 | 11 |
| 20 | On the Relationship between Hydrogen Bond Strength and the Formation Energy in Resonance-Assisted Hydrogen Bonds | 1ᵉʳ autor: Manuel Guevara-Vela, Jose, Gallegos, Miguel, Valentin-Rodriguez, Monica A., Costales, Aurora, et al. | 2021 | Molecules | WoS-id: 000676772800001
Scopus-id: 2-s2.0-85110801968
| 17 | 23 |
| 21 | The effect of elastic strains on the adsorption energy of H, O, and OH in transition metals | 2ᵒ autor: Guevara-Vela J.M., Martínez-Alonso C., Llorca J. | 2021 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000697265300001
Scopus-id: 2-s2.0-85116544329
| 12 | 12 |
| 22 | DFT performance in the IQA energy partition of small water clusters | Coautor: Manuel Guevara-Vela, Jose, Jimenez-Gravalos, Fernando, Luis Casals-Sainz, Jose, Francisco, Evelio, et al. | 2020 | THEORETICAL CHEMISTRY ACCOUNTS | WoS-id: 000499424200002
Scopus-id: 2-s2.0-85075607790
| 2 | 2 |
| 23 | Efficient implementation of the interacting quantum atoms energy partition of the second-order Moller-Plesset energy | 2ᵒ autor: Manuel Guevara-Vela, Jose, Luis Casals-Sainz, Jose, Francisco, Evelio, Rocha-Rinza, Tomas, et al. | 2020 | JOURNAL OF COMPUTATIONAL CHEMISTRY | WoS-id: 000513283600001
Scopus-id: 2-s2.0-85079443260
| 15 | 17 |
| 24 | On the strength of hydrogen bonding within water clusters on the coordination limit | 2ᵒ autor: Guevara-Vela, Jose Manuel, Castor-Villegas, Victor Manuel, Vallejo Narvaez, Wilmer E., Martin Pendas, Angel, et al. | 2020 | JOURNAL OF COMPUTATIONAL CHEMISTRY | WoS-id: 000555904500001
Scopus-id: 2-s2.0-85089021147
| 21 | 23 |
| 25 | Interacting Quantum Atoms-A Review | 1ᵉʳ autor: Manuel Guevara-Vela, Jose, Francisco, Evelio, Rocha-Rinza, Tomas, Martin Pendas, Angel | 2020 | Molecules | WoS-id: 000569627000001
Scopus-id: 2-s2.0-85090583241
| 74 | 87 |
| 26 | Photochemistry in Real Space: Batho- and Hypsochromism in the Water Dimer | 2ᵒ autor: Guevara-Vela J.M., Fernández-Alarcón A., Casals-Sainz J.L., Costales A., et al. | 2020 | CHEMISTRY-A EUROPEAN JOURNAL | WoS-id: 000582773700001
Scopus-id: 2-s2.0-85096677942
| 5 | 0 |
| 27 | Partition of electronic excitation energies: the IQA/EOM-CCSD method | Coautor: Manuel Guevara-Vela, Jose, Fernandez-Alarcon, Alberto, Luis Casals-Sainz, Jose, Costales, Aurora, et al. | 2019 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000473056500043
Scopus-id: 2-s2.0-85067313548
| 13 | 17 |
| 28 | Halogen Bonds in Clathrate Cages: A Real Space Perspective | 1ᵉʳ autor: Guevara-Vela J.M., Ochoa-Resendiz D., Costales A., Hernández-Lamoneda R., et al. | 2018 | Chemphyschem | WoS-id: 000446430700012
Scopus-id: 2-s2.0-85050641301
| 17 | 20 |
| 29 | Stability and trans Influence in Fluorinated Gold(I) Coordination Compounds | Coautor: Manuel Guevara-Vela, Jose, Moreno-Alcantar, Guillermo, Hernandez-Toledo, Hugo, Rocha-Rinza, Tomas, et al. | 2018 | EUROPEAN JOURNAL OF INORGANIC CHEMISTRY | WoS-id: 000449077200002
Scopus-id: 2-s2.0-85054542350
| 6 | 6 |
| 30 | Cooperative and anticooperative effects in resonance assisted hydrogen bonds in merged structures of malondialdehyde | 2ᵒ autor: Manuel Guevara-Vela, Jose, Romero-Montalvo, Eduardo, Costales, Aurora, Martin Pendas, Angel, et al. | 2017 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000391725300010
| 31 | 0 |
| 31 | An unexpected bridge between chemical bonding indicators and electrical conductivity through the localization tensor | 2ᵒ autor: Guevara-Vela J.M., Pendás Á.M., Crespo D.M., Costales A., et al. | 2017 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000394426400011
Scopus-id: 2-s2.0-85020748473
| 15 | 15 |
| 32 | Chemical Bonding in Excited States: Energy Transfer and Charge Redistribution from a Real Space Perspective | 2ᵒ autor: Manuel Guevara-Vela, Jose, Jara-Cortes, Jesus, Martin Pendas, Angel, Hernandez-Trujillo, Jesus | 2017 | JOURNAL OF COMPUTATIONAL CHEMISTRY | WoS-id: 000398515200003
Scopus-id: 2-s2.0-85014446799
| 28 | 28 |
| 33 | Performance of the RI and RIJCOSX approximations in the topological analysis of the electron density | 1ᵉʳ autor: Manuel Guevara-Vela, Jose, Rocha-Rinza, Tomas, Martin Pendas, Angel | 2017 | THEORETICAL CHEMISTRY ACCOUNTS | WoS-id: 000404248100001
Scopus-id: 2-s2.0-85017607301
| 11 | 10 |
| 34 | pi-Backbonding and non-covalent interactions in the JohnPhos and polyfluorothiolate complexes of gold(I) | Coautor: Manuel Guevara-Vela, Jose, Moreno-Alcantar, Guillermo, Hess, Kristopher, Rocha-Rinza, Tomas, et al. | 2017 | DALTON TRANSACTIONS | WoS-id: 000411702300012
Scopus-id: 2-s2.0-85029937292
| 10 | 9 |
| 35 | Structural effects of trifluoromethylation and fluorination in gold(i) BIPHEP fluorothiolates | 2ᵒ autor: Manuel Guevara-Vela, Jose, Moreno-Alcantar, Guillermo, Delgadillo-Ruiz, Rafael, Rocha-Rinza, Tomas, et al. | 2017 | NEW JOURNAL OF CHEMISTRY | WoS-id: 000411768600004
Scopus-id: 2-s2.0-85029941957
| 7 | 7 |
| 36 | Hydrogen-Bond Weakening through pi Systems: Resonance-Impaired Hydrogen Bonds (RIHB) | 1ᵉʳ autor: Manuel Guevara-Vela, Jose, Romero-Montalvo, Eduardo, del Rio-Lima, Alejandra, Martin Pendas, Angel, et al. | 2017 | CHEMISTRY-A EUROPEAN JOURNAL | WoS-id: 000415931300027
Scopus-id: 2-s2.0-85033228258
| 18 | 18 |
| 37 | Where Does Electron Correlation Lie? Some Answers from a Real Space Partition | 2ᵒ autor: Manuel Guevara-Vela, Jose, Luis Casalz-Sainz, Jose, Francisco, Evelio, Rocha-Rinza, Tomas, et al. | 2017 | Chemphyschem | WoS-id: 000418422000006
Scopus-id: 2-s2.0-85038594435
| 24 | 25 |
| 38 | Analysis of S-Au-P bonding in phosphine gold(I) polifluorothiolates: Backbonding and weak interactions | 2ᵒ autor: Guevara-Vela, Jose, Moreno-Alcantar, Guillermo, Torrens, Hugo | 2017 | Abstracts Of Papers Of The American Chemical Society | WoS-id: 000430569102702
| 0 | 0 |
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