| 1 | Structures and stabilities Ru-doped Agn (n=1-13) clusters: Ag10Ru a 18-ve cluster superatom | Coautor: Rocha-Rinza, T, Rodríguez-Kessler, PL, Rodríguez-Carrera, S, Guevara-Vela, JM, et al. | 2025 | INORGANICA CHIMICA ACTA | WoS-id: 001313422200001
Scopus-id: 2-s2.0-85203402680
| 1 | 1 |
| 2 | Synthesis of a new water-soluble highly Fe(III)-selective fluorescent chemosensor based on 4H-quinolizin-4-one | Coautor: Rocha-Rinza, T, Gallardo-Rosas, D, Rosales-Vázquez, LD, Guevara-Vela, JM, et al. | 2025 | JOURNAL OF MOLECULAR STRUCTURE | WoS-id: 001372250600001
Scopus-id: 2-s2.0-85210533738
| 0 | 1 |
| 3 | Structural evolution and bonding within molybdenum-doped tin clusters MoSnn (n=2-15) | Coautor: Rocha-Rinza, T, Guevara-Vela, JM, Gallegos, M, Francisco, E, et al. | 2025 | INORGANICA CHIMICA ACTA | WoS-id: 001385931100001
Scopus-id: 2-s2.0-85211631232
| 0 | 0 |
| 4 | Synthesis of Functionalized Tetrasubstituted Allenes by the Addition of Bis(trimethylsilyl)ketene Acetals to Ynones Catalyzed by Gold(I) | Coautor: Rocha-Rinza T., 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 | Coautor y autor de correspondencia: Rocha-Rinza T., Bahena-Méndez C.E., Guevara-Vela J.M. | 2024 | JOURNAL OF MOLECULAR LIQUIDS | WoS-id: 001173738500001
Scopus-id: 2-s2.0-85183450257
| 1 | 2 |
| 6 | Structure and isomerization behavior relationships of new push-pull azo-pyrrole photoswitches | Coautor: Rocha-Rinza T., Gallardo-Rosas D., Guevara-Vela J.M., Toscano R.A., et al. | 2024 | ORGANIC & BIOMOLECULAR CHEMISTRY | WoS-id: 001217169000001
Scopus-id: 2-s2.0-85192434013
| 2 | 2 |
| 7 | New global minimum conformers for the Pt19 and Pt20 clusters: low symmetric species featuring different active sites | Coautor: Rocha-Rinza, T, Guevara-Vela, JM, Gallegos, M, Muñoz-Castro, A, et al. | 2024 | JOURNAL OF MOLECULAR MODELING | WoS-id: 001292881100001
Scopus-id: 2-s2.0-85201428246
| 1 | 0 |
| 8 | Does Aromaticity Play a Role in Electronic and Structural Properties of YBn (n=2-14) Clusters? | Coautor: Rocha-Rinza, T, Gallegos, M, Guevara-Vela, JM, Costales, A, et al. | 2024 | Chemphyschem | WoS-id: 001336660900001
Scopus-id: 2-s2.0-85206391099
| 0 | 0 |
| 9 | Atoms in molecules in real space: a fertile field for chemical bonding | Coautor: Rocha-Rinza, Tomas, 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 |
| 10 | Wave function analyses of scandium-doped aluminium clusters, AlnSc (n=1-24), and their CO2 fixation abilities | Coautor: Rocha-Rinza, Tomas, Guevara-Vela, Jose Manuel, Sauza-de la Vega, Arturo, Gallegos, Miguel, et al. | 2023 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 001023708800001
Scopus-id: 2-s2.0-85165255339
| 5 | 8 |
| 11 | On the structure and electronic properties of Ptn clusters: new most stable structures for n=16-17 | 2ᵒ autor: Rocha-Rinza, Tomas, Guevara-Vela, Jose Manuel, Rodriguez-Kessler, Peter L., Munoz-Castro, Alvaro | 2023 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 001089292300001
Scopus-id: 2-s2.0-85175193391
| 3 | 5 |
| 12 | Stronger-together: The cooperativity of aurophilic interactions | Coautor: Rocha-Rinza T., Guevara-Vela J.M., Hess K., Martín Pendás Á., et al. | 2022 | CHEMICAL COMMUNICATIONS | WoS-id: 000739858400001
Scopus-id: 2-s2.0-85123901666
| 13 | 14 |
| 13 | Computation of photovoltaic and stability properties of hybrid organic-inorganic perovskites via convolutional neural networks | Coautor: Rocha-Rinza, Tomas, Alexander Aristizabal-Ferreira, Victor, Manuel Guevara-Vela, Jose, Sauza-de la Vega, Arturo, et al. | 2022 | THEORETICAL CHEMISTRY ACCOUNTS | WoS-id: 000773935400001
Scopus-id: 2-s2.0-85127295104
| 2 | 3 |
| 14 | Towards an atomistic understanding of polymorphism in molecular solids | Coautor: Rocha-Rinza, Tomas, Sauza-de la Vega, Arturo, Duarte, Leonardo J., Silva, Arnaldo F., et al. | 2022 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000788237200001
Scopus-id: 2-s2.0-85130269339
| 6 | 6 |
| 15 | Partition of the electronic energy of the PM7 method via the interacting quantum atoms approach | Coautor: Rocha-Rinza, Tomas, Salazar-Lozas, Hugo, Guevara-Vela, Jose Manuel, Pendas, Angel Martin, et al. | 2022 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000837390800001
Scopus-id: 2-s2.0-85135694602
| 1 | 1 |
| 16 | A QCT View of the Interplay between Hydrogen Bonds and Aromaticity in Small CHON Derivatives | Coautor: Rocha-Rinza T., Gallegos M., Barrena-Espés D., Guevara-Vela J.M., et al. | 2022 | Molecules | WoS-id: 000856868500001
Scopus-id: 2-s2.0-85138421878
| 5 | 5 |
| 17 | Binding Energy Partition of Promising IRAK-4 Inhibitor (Zimlovisertib) for the Treatment of COVID-19 Pneumonia | Coautor: Rocha-Rinza, Tomas, Zapata-Acevedo, Cesar A., Guevara-Vela J.M., Popelier P.L.A. | 2022 | Chemphyschem | WoS-id: 000869550900001
Scopus-id: 2-s2.0-85140077554
| 4 | 5 |
| 18 | Synthesis and characterization of organotin(IV) semiconductors and their applications in optoelectronics | Coautor: Rocha-Rinza, Tomas, Monzon-Gonzalez, Cesar R., Elena Sanchez-Vergara, Maria, Vallejo Narvaez, Wilmer E., et al. | 2021 | JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS | WoS-id: 000605608400002
Scopus-id: 2-s2.0-85097535395
| 12 | 12 |
| 19 | Fluorination effects in XPhos gold(I) fluorothiolates | Coautor: Rocha-Rinza, Tomas, Moreno-Alcantar, Guillermo, Diaz-Rosas, Cristian, Fernandez-Alarcon, Alberto, et al. | 2021 | Inorganics | WoS-id: 000622638000001
Scopus-id: 2-s2.0-85100904962
| 2 | 2 |
| 20 | Bifunctional squaramides with benzyl-like fragments: analysis of CHMIDLINE HORIZONTAL ELLIPSIS pi interactions by a multivariate linear regression model and quantum chemical topology dagger | Coautor: Rocha-Rinza, Tomas, Diaz-Salazar, Howard, Jimenez, Eddy I., Vallejo Narvaez, Wilmer E., et al. | 2021 | Organic Chemistry Frontiers | WoS-id: 000631788500001
| 5 | 0 |
| 21 | The nature of the intermolecular interaction in (H2X)(2) (X = O, S, Se) | Coautor: Rocha-Rinza, Tomas, Fernandez-Alarcon, Alberto, Guevara-Vela, Jose Manuel, Casals-Sainz, Jose Luis, et al. | 2021 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000641279700001
Scopus-id: 2-s2.0-85105204945
| 1 | 3 |
| 22 | Cooperativity and Anticooperativity in Ion-Water Interactions: Implications for the Aqueous Solvation of Ions | 2ᵒ autor: Rocha-Rinza, Tomas, Sauza-de la Vega, Arturo, Guevara-Vela, Jose Manuel | 2021 | Chemphyschem | WoS-id: 000651132600001
Scopus-id: 2-s2.0-85105916110
| 12 | 15 |
| 23 | Structural Diversity and Argentophilic Interactions in Small Phosphine Silver(I) Thiolate Clusters | Coautor: Rocha-Rinza, Tomas, Caballero-Munoz, Alejandra, Guevara-Vela, Jose Manuel, Fernandez-Alarcon, Alberto, et al. | 2021 | EUROPEAN JOURNAL OF INORGANIC CHEMISTRY | WoS-id: 000659408000001
Scopus-id: 2-s2.0-85107441927
| 11 | 11 |
| 24 | Thermodynamics from Lagrangian theory and its applications to nanosize particle systems | Coautor y autor de correspondencia: Rocha-Rinza, Tomas, Hernandez-Huerta, Eduardo, Santamaria, Ruben | 2021 | MOLECULAR PHYSICS | WoS-id: 000662760500001
Scopus-id: 2-s2.0-85108259276
| 1 | 2 |
| 25 | On the Relationship between Hydrogen Bond Strength and the Formation Energy in Resonance-Assisted Hydrogen Bonds | Coautor: Rocha-Rinza, Tomas, Manuel Guevara-Vela, Jose, Gallegos, Miguel, Valentin-Rodriguez, Monica A., et al. | 2021 | Molecules | WoS-id: 000676772800001
Scopus-id: 2-s2.0-85110801968
| 15 | 21 |
| 26 | Water clusters as bifunctional catalysts in organic chemistry: the hydrolysis of oxirane and its methyl derivatives | Coautor: Rocha-Rinza, Tomas, Sauza-de la Vega, Arturo, Salazar-Lozas, Hugo, Vallejo Narvaez, Wilmer E., et al. | 2021 | ORGANIC & BIOMOLECULAR CHEMISTRY | WoS-id: 000677441700001
Scopus-id: 2-s2.0-85112676749
| 7 | 9 |
| 27 | DFT performance in the IQA energy partition of small water clusters | Coautor: Rocha-Rinza, Tomas, 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 |
| 28 | Efficient implementation of the interacting quantum atoms energy partition of the second-order Moller-Plesset energy | Coautor: Rocha-Rinza, Tomas, Luis Casals-Sainz, Jose, Manuel Guevara-Vela, Jose, Francisco, Evelio, et al. | 2020 | JOURNAL OF COMPUTATIONAL CHEMISTRY | WoS-id: 000513283600001
Scopus-id: 2-s2.0-85079443260
| 15 | 17 |
| 29 | Directing the Crystal Packing in Triphenylphosphine Gold(I) Thiolates by Ligand Fluorination | Coautor: Rocha-Rinza, Tomas, Moreno-Alcantar, Guillermo, Turcio-Garcia, Luis, Guevara-Vela, Jose M., et al. | 2020 | INORGANIC CHEMISTRY | WoS-id: 000548456300007
Scopus-id: 2-s2.0-85087532681
| 15 | 15 |
| 30 | On the strength of hydrogen bonding within water clusters on the coordination limit | Coautor: Rocha-Rinza, Tomas, Castor-Villegas, Victor Manuel, Guevara-Vela, Jose Manuel, Vallejo Narvaez, Wilmer E., et al. | 2020 | JOURNAL OF COMPUTATIONAL CHEMISTRY | WoS-id: 000555904500001
Scopus-id: 2-s2.0-85089021147
| 21 | 23 |
| 31 | Synthesis and photophysical properties of conformationally restricted difluoroboron ß-diketonate complexes of 1-indanone derivatives | Coautor: Rocha-Rinza T., Monzón-González C.R., Corona-Sánchez R., Vallejo Narváez W.E., et al. | 2020 | Tetrahedron | WoS-id: 000563530700003
Scopus-id: 2-s2.0-85089259325
| 3 | 3 |
| 32 | Interacting Quantum Atoms-A Review | Coautor: Rocha-Rinza, Tomas, Manuel Guevara-Vela, Jose, Francisco, Evelio, Martin Pendas, Angel | 2020 | Molecules | WoS-id: 000569627000001
Scopus-id: 2-s2.0-85090583241
| 73 | 86 |
| 33 | Photochemistry in Real Space: Batho- and Hypsochromism in the Water Dimer | Coautor: Rocha Rinza T., Fernández-Alarcón A., Guevara-Vela J.M., Casals-Sainz J.L., et al. | 2020 | CHEMISTRY-A EUROPEAN JOURNAL | WoS-id: 000582773700001
Scopus-id: 2-s2.0-85096677942
| 5 | 0 |
| 34 | Latin American contributions to quantum chemical topology | Coautor: Rocha-Rinza T., García-Revilla M.A., Cortés-Guzmán F., Hernández-Trujillo J. | 2019 | INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | WoS-id: 000452623400013
Scopus-id: 2-s2.0-85054596808
| 9 | 5 |
| 35 | Stability of doubly and triply H-bonded complexes governed by acidity-basicity relationships | Coautor: Rocha-Rinza T., Vallejo Narváez W.E., Jiménez E.I., Cantú-Reyes M., et al. | 2019 | CHEMICAL COMMUNICATIONS | WoS-id: 000457645500034
Scopus-id: 2-s2.0-85060958235
| 12 | 13 |
| 36 | Partition of electronic excitation energies: the IQA/EOM-CCSD method | Coautor: Rocha-Rinza, Tomas, Fernandez-Alarcon, Alberto, Luis Casals-Sainz, Jose, Manuel Guevara-Vela, Jose, et al. | 2019 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000473056500043
Scopus-id: 2-s2.0-85067313548
| 13 | 17 |
| 37 | The effect of chiral N-substituents with methyl or trifluoromethyl groups on the catalytic performance of mono- and bifunctional thioureas | Coautor: Rocha-Rinza, Tomas, Vazquez-Chavez, Josue, Luna-Morales, Socorro, Cruz-Aguilar, Diego A., et al. | 2019 | ORGANIC & BIOMOLECULAR CHEMISTRY | WoS-id: 000501223800009
Scopus-id: 2-s2.0-85075958258
| 9 | 9 |
| 38 | A detailed atomistic molecular simulation study on adsorption-based separation of CO2 using a porous coordination polymer | 2ᵒ autor y autor de correspondencia: Rocha-Rinza, Tomas, Zarabadi-Poor, Pezhman | 2018 | RSC ADVANCES | WoS-id: 000430536600002
Scopus-id: 2-s2.0-85045844286
| 7 | 9 |
| 39 | Acidity and basicity interplay in amide and imide self-association | Coautor: Rocha-Rinza, Tomas, Vallejo Narvaez, Wilmer E., Jimenez, Eddy I., Romero-Montalvo, Eduardo, et al. | 2018 | CHEMICAL SCIENCE | WoS-id: 000432598400004
Scopus-id: 2-s2.0-85047364882
| 31 | 33 |
| 40 | Simple method to estimate relative hydrogen bond basicities of amides and imides in chloroform | Coautor: Rocha-Rinza T., Vallejo Narváez W.E., Jiménez E.I., Hernández-Rodríguez M. | 2018 | JOURNAL OF MOLECULAR STRUCTURE | WoS-id: 000446286200068
Scopus-id: 2-s2.0-85049983942
| 1 | 2 |
| 41 | Stability and trans Influence in Fluorinated Gold(I) Coordination Compounds | Coautor: Rocha-Rinza, Tomas, Moreno-Alcantar, Guillermo, Hernandez-Toledo, Hugo, Manuel Guevara-Vela, Jose, et al. | 2018 | EUROPEAN JOURNAL OF INORGANIC CHEMISTRY | WoS-id: 000449077200002
Scopus-id: 2-s2.0-85054542350
| 6 | 6 |
| 42 | Cooperative and anticooperative effects in resonance assisted hydrogen bonds in merged structures of malondialdehyde | Coautor: Rocha-Rinza, Tomas, Romero-Montalvo, Eduardo, Manuel Guevara-Vela, Jose, Costales, Aurora, et al. | 2017 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000391725300010
| 31 | 0 |
| 43 | The bifunctional catalytic role of water clusters in the formation of acid rain | Coautor: Rocha-Rinza, Tomas, Romero-Montalvo, Eduardo, Manuel Guevara-Vela, Jose, Vallejo Narvaez, Wilmer Esteban, et al. | 2017 | CHEMICAL COMMUNICATIONS | WoS-id: 000399000100002
Scopus-id: 2-s2.0-85016136376
| 23 | 25 |
| 44 | Performance of the RI and RIJCOSX approximations in the topological analysis of the electron density | 2ᵒ autor: Rocha-Rinza, Tomas, Manuel Guevara-Vela, Jose, Martin Pendas, Angel | 2017 | THEORETICAL CHEMISTRY ACCOUNTS | WoS-id: 000404248100001
Scopus-id: 2-s2.0-85017607301
| 11 | 10 |
| 45 | Evolution of electron density towards the conical intersection of a nucleic acid purine | Coautor: Rocha-Rinza, Tomas, Gutierrez-Arzaluz, Luis, Ramirez-Palma, David, Buitron-Cabrera, Frida, et al. | 2017 | CHEMICAL PHYSICS LETTERS | WoS-id: 000405802200069
Scopus-id: 2-s2.0-85015314170
| 3 | 6 |
| 46 | pi-Backbonding and non-covalent interactions in the JohnPhos and polyfluorothiolate complexes of gold(I) | Coautor: Rocha-Rinza, Tomas, Moreno-Alcantar, Guillermo, Hess, Kristopher, Manuel Guevara-Vela, Jose, et al. | 2017 | DALTON TRANSACTIONS | WoS-id: 000411702300012
Scopus-id: 2-s2.0-85029937292
| 9 | 9 |
| 47 | Structural effects of trifluoromethylation and fluorination in gold(i) BIPHEP fluorothiolates | Coautor: Rocha-Rinza, Tomas, Moreno-Alcantar, Guillermo, Manuel Guevara-Vela, Jose, Delgadillo-Ruiz, Rafael, et al. | 2017 | NEW JOURNAL OF CHEMISTRY | WoS-id: 000411768600004
Scopus-id: 2-s2.0-85029941957
| 7 | 7 |
| 48 | Design and application of a bifunctional organocatalyst guided by electron density topological analyses | Coautor: Rocha-Rinza, Tomas, Jimenez, Eddy I., Vallejo Narvaez, Wilmer E., Hernandez-Rodriguez, Marcos | 2017 | CATALYSIS SCIENCE & TECHNOLOGY | WoS-id: 000413190800024
Scopus-id: 2-s2.0-85030700750
| 10 | 10 |
| 49 | Hydrogen-Bond Weakening through pi Systems: Resonance-Impaired Hydrogen Bonds (RIHB) | Coautor: Rocha Rinza, Tomas, Manuel Guevara-Vela, Jose, Romero-Montalvo, Eduardo, del Rio-Lima, Alejandra, et al. | 2017 | CHEMISTRY-A EUROPEAN JOURNAL | WoS-id: 000415931300027
Scopus-id: 2-s2.0-85033228258
| 18 | 18 |
| 50 | Where Does Electron Correlation Lie? Some Answers from a Real Space Partition | Coautor: Rocha-Rinza, Tomas, Luis Casalz-Sainz, Jose, Manuel Guevara-Vela, Jose, Francisco, Evelio, et al. | 2017 | Chemphyschem | WoS-id: 000418422000006
Scopus-id: 2-s2.0-85038594435
| 24 | 25 |
| 51 | Electron correlation in the interacting quantum atoms partition via coupled-cluster lagrangian densities | Coautor: Rocha-Rinza, Tomas, Jose Holguin-Gallego, Fernando, Chavez-Calvillo, Rodrigo, Garcia-Revilla, Marco, et al. | 2016 | JOURNAL OF COMPUTATIONAL CHEMISTRY | WoS-id: 000379161900001
Scopus-id: 2-s2.0-84975154501
| 27 | 30 |
| 52 | Partitioning the DFT exchange-correlation energy in line with the interacting quantum atoms approach | Coautor: Rocha-Rinza, Tomas, Francisco, E., Casals-Sainz, J. L., Martin Pendas, A. | 2016 | THEORETICAL CHEMISTRY ACCOUNTS | WoS-id: 000380249700001
Scopus-id: 2-s2.0-84977574214
| 52 | 46 |
| 53 | Hydrogen bond cooperativity and anticooperativity within the water hexamer | Coautor: Rocha-Rinza, Tomas, Manuel Guevara-Vela, Jose, Romero-Montalvo, Eduardo, Mora Gomez, Victor Arturo, et al. | 2016 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000380343100007
Scopus-id: 2-s2.0-84979220380
| 115 | 118 |
| 54 | Fermi and Coulomb correlation effects upon the interacting quantum atoms energy partition | Coautor: Rocha-Rinza, Tomas, Ruiz, Isela, Matito, Eduard, Jose Holguin-Gallego, Fernando, et al. | 2016 | THEORETICAL CHEMISTRY ACCOUNTS | WoS-id: 000381408700001
Scopus-id: 2-s2.0-84981240553
| 16 | 17 |
| 55 | Bifunctional Thioureas with alpha-Trifluoromethyl or Methyl Groups: Comparison of Catalytic Performance in Michael Additions | Coautor: Rocha-Rinza T., Jiménez E.I., Vallejo Narváez W.E., Román-Chavarría C.A., et al. | 2016 | JOURNAL OF ORGANIC CHEMISTRY | WoS-id: 000382713800012
Scopus-id: 2-s2.0-84984869232
| 24 | 28 |
| 56 | The nature of resonance-assisted hydrogen bonds: A quantum chemical topology perspective | Coautor: Rocha-Rinza, Tomas, Manuel Guevara-Vela, Jose, Romero-Montalvo, Eduardo, Costales, Aurora, et al. | 2016 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000385175000006
Scopus-id: 2-s2.0-84989953154
| 66 | 67 |
| 57 | Dynamical correlation within the Interacting Quantum Atoms method through coupled cluster theory | Coautor: Rocha-Rinza T., Chávez-Calvillo R., García-Revilla M., Francisco E., et al. | 2015 | COMPUTATIONAL AND THEORETICAL CHEMISTRY | WoS-id: 000349591600011
Scopus-id: 2-s2.0-84920920015
| 33 | 39 |
| 58 | Stilbene photoisomerization driving force as revealed by the topology of the electron density and QTAIM properties | 2ᵒ autor: RochaRinza, T, GutierrezArzaluz, L, CortesGuzman, F | 2015 | COMPUTATIONAL AND THEORETICAL CHEMISTRY | WoS-id: 000349591600024
Scopus-id: 2-s2.0-84920996719
| 14 | 15 |
| 59 | Electron density analysis of aromatic complexes in excited electronic states: The benzene and naphthalene excimers | 2ᵒ autor: Rocha-Rinza T., Jara-Cortés J., Hernández-Trujillo J. | 2015 | COMPUTATIONAL AND THEORETICAL CHEMISTRY | WoS-id: 000349591600025
Scopus-id: 2-s2.0-84920895587
| 23 | 24 |
| 60 | Assessment of Hydrophobic Interactions and Their Contributions Through the Analysis of the Methane Dimer | 2ᵒ autor: RochaRinza, T, Alaniz, V, Cuevas, G | 2015 | JOURNAL OF COMPUTATIONAL CHEMISTRY | WoS-id: 000349613300002
Scopus-id: 2-s2.0-84922826888
| 15 | 16 |
| 61 | Electronic Structure and Noncovalent Interactions within Ion-Radical Complexes of N-(2-Furylmethyl)aniline Molecular Ions | 2ᵒ autor y autor de correspondencia: RochaRinza, T, Narvaez, WEV | 2015 | JOURNAL OF PHYSICAL CHEMISTRY A | WoS-id: 000351188900030
Scopus-id: 2-s2.0-84938821699
| 5 | 5 |
| 62 | Ultrafast excited state hydrogen atom transfer in salicylideneaniline driven by changes in aromaticity | Coautor: RochaRinza, T, GutierrezArzaluz, L, CortesGuzman, F, Peon, J | 2015 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000365410100024
Scopus-id: 2-s2.0-84948443953
| 52 | 59 |
| 63 | Erratum: Properties of atoms in electronically excited molecules within the formalism of TDDFT (Journal of Computational Chemistry (2014) 35 (820-828)) | Coautor: Rocha-Rinza T., Sánchez-Flores E.I., Chávez-Calvillo R., Keith T.A., et al. | 2015 | JOURNAL OF COMPUTATIONAL CHEMISTRY | WoS-id: 000367381500007
Scopus-id: 2-s2.0-84955169060
| 0 | 0 |
| 64 | Properties of atoms in electronically excited molecules within the formalism of TDDFT | Coautor: Rocha-Rinza T., Sánchez-Flores E.I., Chávez-Calvillo R., Keith T.A., et al. | 2014 | JOURNAL OF COMPUTATIONAL CHEMISTRY | WoS-id: 000332446300007
Scopus-id: 2-s2.0-84895918577
| 25 | 24 |
| 65 | Dynamic molecular graphs: "hopping" structures | 2ᵒ autor: Rocha-Rinza, T, Cortes-Guzman, F, Guevara-Vela, JM, Cuevas, G, et al. | 2014 | CHEMISTRY-A EUROPEAN JOURNAL | WoS-id: 000335197000022
Scopus-id: 2-s2.0-84899925601
| 8 | 10 |
| 66 | Assessment of hydrophobic interactions and their contributions through the analysis of the methane dimer | 2ᵒ autor: Rocha-Rinza T., Duarte Alaniz V., Cuevas G. | 2014 | JOURNAL OF COMPUTATIONAL CHEMISTRY | Scopus-id: 2-s2.0-84919683008
| 0 | 0 |
| 67 | Hydrogen-bond cooperative effects in small cyclic water clusters as revealed by the interacting quantum atoms approach | Coautor: Rocha-Rinza, T, Guevara-Vela, JM, Chavez-Calvillo, R, Garcia-Revilla, M, et al. | 2013 | CHEMISTRY-A EUROPEAN JOURNAL | WoS-id: 000325488900043
Scopus-id: 2-s2.0-84905157913
| 79 | 80 |
| 68 | Performance of popular XC-functionals for the description of excitation energies in GFP-like chromophore models | Coautor: Rocha-Rinza, T, List, NH, Olsen, JM, Christiansen, O, et al. | 2012 | INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | WoS-id: 000298596800016
Scopus-id: 2-s2.0-81855170985
| 50 | 51 |
| 69 | Unraveling the similarity of the photoabsorption of deprotonated p-coumaric acid in the gas phase and within the photoactive yellow protein | 1ᵉʳ autor: Rocha-Rinza T., Sneskov K., Christiansen O., Ryde U., et al. | 2011 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000286056400039
Scopus-id: 2-s2.0-78651269054
| 38 | 37 |
| 70 | Absorption tuning of the green fluorescent protein chromophore: synthesis and studies of model compounds | Coautor y autor de correspondencia: Rocha-Rinza T., Nielsen M.B., Andersen L.H. | 2011 | MONATSHEFTE FUR CHEMIE | WoS-id: 000292566700005
Scopus-id: 2-s2.0-80051799120
| 5 | 5 |
| 71 | Valence Shell Charge Concentration (VSCC) Evolution: A Tool to Investigate the Transformations within a VSCC Throughout a Chemical Reaction | Coautor: Rocha-Rinza, T, Cortes-Guzman, F, Gomez, RM, Sanchez-Obregon, MA, et al. | 2011 | JOURNAL OF PHYSICAL CHEMISTRY A | WoS-id: 000296685500050
Scopus-id: 2-s2.0-80855134406
| 13 | 15 |
| 72 | The role of cell geometry over transport and reaction processes | Coautor: Rocha-Rinza T., Freyre-Fonseca V., Valdés-Parada F.J., Robles-López H. | 2011 | Chemical Engineering Transactions | WoS-id: 000298023800160
Scopus-id: 2-s2.0-79955495267
| 0 | 1 |
| 73 | Application of Electron Delocalization Indicators in the Study of Electrophilic Aromatic Substitution Reactions | 2ᵒ autor y autor de correspondencia: Rocha-Rinza T., García-Revilla M. | 2011 | CURRENT ORGANIC CHEMISTRY | WoS-id: 000298668600008
Scopus-id: 2-s2.0-80054055820
| 3 | 3 |
| 74 | Spectroscopic Implications of the Electron Donor-Acceptor Effect in the Photoactive Yellow Protein Chromophore | 1ᵉʳ autor: Rocha-Rinza T., Christiansen O., Rahbek D.B., Klaerke, B, et al. | 2010 | CHEMISTRY-A EUROPEAN JOURNAL | WoS-id: 000283834500028
Scopus-id: 2-s2.0-78249267880
| 19 | 19 |
| 75 | Gas Phase Absorption Studies of Photoactive Yellow Protein Chromophore Derivatives | 1ᵉʳ autor: Rocha-Rinza T., Rajput O.C.J., Gopalan A., Rahbek D.B., et al. | 2009 | JOURNAL OF PHYSICAL CHEMISTRY A | WoS-id: 000269042500005
Scopus-id: 2-s2.0-68949217048
| 56 | 56 |
| 76 | Photoabsorption studies of neutral green fluorescent protein model chromophores in vacuo | Coautor: Rocha-Rinza T., Rajput J., Rahbek D.B., Andersen L.H., et al. | 2009 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000271243400006
Scopus-id: 2-s2.0-71049193953
| 38 | 37 |
| 77 | Linear response coupled cluster study of the benzene excimer | 1ᵉʳ autor: Rocha-Rinza T., Christiansen O. | 2009 | CHEMICAL PHYSICS LETTERS | WoS-id: 000271264600008
Scopus-id: 2-s2.0-72049111735
| 29 | 25 |
| 78 | The nature of benzene-cation interactions from the topology of the electron distribution | 1ᵉʳ autor: Rocha-Rinza T., Hernández-Trujillo J. | 2006 | CHEMICAL PHYSICS LETTERS | WoS-id: 000237177500008
Scopus-id: 2-s2.0-33646389534
| 15 | 18 |
| 79 | A theoretical study of singlet low-energy excited states of the benzene dimer | 1ᵉʳ autor: Rocha-Rinza T., De Vico L., Veryazov V., Roos B.O. | 2006 | CHEMICAL PHYSICS LETTERS | WoS-id: 000239555500007
Scopus-id: 2-s2.0-33746580689
| 51 | 48 |
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