TOMAS ROCHA RINZA

Entidad: Instituto de Química, UNAM

Telefono: 46611

Email: tomasrocharinza@gmail.com

Url: http://www.iquimica.unam.mx/index.php/departamentosiq-alias/fisicoquimicaiq-alias/93-departamentos/fisicoquimicaiq-alias/189-investigadorocha-alias

Departamento: --

Línea de trabajo y/o generación del conocimiento: Química Teórica y Computacional


Tesis Doctorado

TesisAlumno
PARTICION DE LA ENERGIA ELECTRONICA MEDIANTE EL METODO DE ATOMOS CUANTICOS INTERACTUANTES Y ECUACION DE MOVIMIENTO DE CUMULOS ACOPLADOS ALBERTO FERNANDEZ ALARCON
<p>INCLUSION DE CORRELACION DINAMICA EN EL METODO DE ATOMOS QUIMICOS INTERACTUANTES MEDIANTE EL LAGRANGIANO DE CUMULOS ACOPLADOS</p> FERNANDO JOSE HOLGUIN GALLEGO
CORRELACION DEPENDIENTE DEL ESPIN EN LA PARTICIPACION DE ATOMOS CUANTICOS INTERACTUANTES ISELA RUIZ GONZALEZ
<p>ESTUDIO TEORICO EXPERIMENTAL DE LAS INTERACCIONES PRESENTES EN LOS ADUCTOS DE UREAS, TIOUREAS, ESCUARAMIDAS Y EN DIMEROS DE AMIDAS E IMIDAS</p> WILMER ESTEBAN VALLEJO NARVAEZ

Tesis Maestría

TesisAlumno
Uso de la función de onda de cúmulos acoplados en la determinación de matrices de densidad de primero y de segundo orden VICTOR ALEXANDER ARISTIZABAL FERREIRA
PARTICION DE LA ENERGIA ELECTRONICA EN EL COMPLEJO ENDOÉDRICO DE HELIO Y CUBANO Promedio 9.0 VICTOR ARTURO MORA GOMEZ
JAIME ARTURO PEREZ RESENDIZ (grado 29/09/17)
ESTUDIO TEORICO DE EFECTOS COOPERATIVOS Y ANTICOOPERATIVOS EN ENLACES DE HIDROGENO ASISTIDOS POR RESONANCIA (EHARS) Promedio 9.38 EDUARDO ALEJANDRO ROMERO MONTALVO
ESTUDIO DE PROPIEDADES TOPOLÓGICAS DE LA DENSIDAD ELECTRÓNICA EN EL FOTODÍMERO DE ANTRACENO HUGO SALAZAR LOZAS
<p>ESTUDIO COMPUTACIONAL DE COMPLEJOS BIS-ANTRACENMETALATO DE FE Y CO EN ESTADOS DE OXIDACION 0 Y -1, Promedio 8.12</p> MARCO ANTONIO TLATELPA IGLESIAS (grado 19/03/17)
ESTUDIO TEORICO DE LAS INTERACCIONES PRESENTES EN LOS COMPLEJOS ION RADICAL GENERADOS EN LA DISOCIACION DE LOS IONES MOLECULARES DE N-(2-FURILMETIL) ANILINAS-4- SUSTITUIDAS. Promedio final: 9.89 WILMER ESTEBAN VALLEJO NARVAEZ

Publicaciones:

  • Performance of the RI and RIJCOSX approximations in the topological analysis of the electron density
    Guevara-Vela, José Manuel,Rocha-Rinza, Tomás,Pendás, Ángel Martín
    Theoretical Chemistry Accounts 2017, (136), 5, -
    doi: 10.1007/s00214-017-2084-0
  • Evolution of electron density towards the conical intersection of a nucleic acid purine
    Gutiérrez-Arzaluz, Luis,Ramírez-Palma, David,Buitrón-Cabrera, Frida,Rocha-Rinza, Tomás,Cortés-Guzmán
    Chemical Physics Letters 2017, (), , -
    doi: 10.1016/j.cplett.2017.03.021
  • The bifunctional catalytic role of water clusters in the formation of acid rain
    Romero-Montalvo, Eduardo,Guevara-Vela, José Manuel,Vallejo Narváez, Wilmer Esteban,Costales, Aurora,
    Chem. Commun. 2017, (53), 25, 3516 - 3519
    doi: 10.1039/c6cc09616f
  • Bifunctional Thioureas with α-Trifluoromethyl or Methyl Groups: Comparison of Catalytic Performance in Michael Additions
    Jiménez, Eddy I.,Vallejo Narváez, Wilmer E.,Román-Chavarría, Carlos A.,Vazquez-Chavez, Josue,Rocha-R
    The Journal of Organic Chemistry 2016, (81), 17, 7419 - 7431
    doi: 10.1021/acs.joc.6b01063
  • Fermi and Coulomb correlation effects upon the interacting quantum atoms energy partition
    Ruiz, Isela,Matito, Eduard,Holguín-Gallego, Fernando José,Francisco, Evelio,Martín Pendás, Ángel,Roc
    Theoretical Chemistry Accounts 2016, (135), 9, -
    doi: 10.1007/s00214-016-1957-y
  • Electron correlation in the interacting quantum atoms partition via coupled-cluster lagrangian densities
    Holguín-Gallego, Fernando José,Chávez-Calvillo, Rodrigo,García-Revilla, Marco,Francisco, Evelio,Pend
    Journal of Computational Chemistry 2016, (37), 19, 1753 - 1765
    doi: 10.1002/jcc.24372
  • Partitioning the DFT exchange-correlation energy in line with the interacting quantum atoms approach
    Francisco, E.,Casals-Sainz, J. L.,Rocha-Rinza, Tomás,Martín Pendás, A.
    Theoretical Chemistry Accounts 2016, (135), 7, -
    doi: 10.1007/s00214-016-1921-x
  • The nature of resonance-assisted hydrogen bonds: a quantum chemical topology perspective
    Guevara-Vela, José Manuel,Romero-Montalvo, Eduardo,Costales, Aurora,Pendás, Ángel Martín,Rocha-Rinza
    Phys. Chem. Chem. Phys. 2016, (18), 38, 26383 - 26390
    doi: 10.1039/c6cp04386k
  • Hydrogen bond cooperativity and anticooperativity within the water hexamer
    Guevara-Vela, José Manuel,Romero-Montalvo, Eduardo,Mora Gómez, Víctor Arturo,Chávez-Calvillo, Rodrig
    Phys. Chem. Chem. Phys. 2016, (18), 29, 19557 - 19566
    doi: 10.1039/c6cp00763e
  • Electronic Structure and Noncovalent Interactions within Ion–Radical Complexes of N -(2-Furylmethyl)aniline Molecular Ions
    Vallejo Narváez, Wilmer E.,Rocha-Rinza, Tomás
    J. Phys. Chem. A 2015, (119), 10, 2098 - 2110
    doi: 10.1021/jp512355j
  • Assessment of hydrophobic interactions and their contributions through the analysis of the methane dimer
    Duarte Alaniz, Víctor,Rocha-Rinza, Tomás,Cuevas, Gabriel
    J. Comput. Chem. 2015, (36), 6, 361 - 375
    doi: 10.1002/jcc.23798
  • Dynamical correlation within the Interacting Quantum Atoms method through coupled cluster theory
    Chávez-Calvillo, Rodrigo,García-Revilla, Marco,Francisco, Evelio,Martín Pendás, Ángel,Rocha-Rinza, T
    Computational and Theoretical Chemistry 2015, (1053), , 90 - 95
    doi: 10.1016/j.comptc.2014.08.009
  • Electron density analysis of aromatic complexes in excited electronic states: The benzene and naphthalene excimers
    Jara-Cortés, Jesús,Rocha-Rinza, Tomás,Hernández-Trujillo, Jesús
    Computational and Theoretical Chemistry 2015, (1053), , 220 - 228
    doi: 10.1016/j.comptc.2014.09.031
  • Stilbene photoisomerization driving force as revealed by the topology of the electron density and QTAIM properties
    Gutiérrez-Arzaluz, Luis,Rocha-Rinza, Tomás,Cortés-Guzmán, Fernando
    Computational and Theoretical Chemistry 2015, (1053), , 214 - 219
    doi: 10.1016/j.comptc.2014.10.024
  • Erratum: Properties of atoms in electronically excited molecules within the formalism of TDDFT [J. Comput Chem. 2014, 35, 820-828]
    Sánchez-Flores, Eric Iván,Chávez-Calvillo, Rodrigo,Keith, Todd A.,Cuevas, Gabriel,Rocha-Rinza, Tomás
    Journal of Computational Chemistry 2015, (36), 32, 2429 - 2429
    doi: 10.1002/jcc.24224
  • Ultrafast excited state hydrogen atom transfer in salicylideneaniline driven by changes in aromaticity
    Gutiérrez-Arzaluz, Luis,Cortés-Guzmán, Fernando,Rocha-Rinza, Tomás,Peón, Jorge
    Phys. Chem. Chem. Phys. 2015, (17), 47, 31608 - 31612
    doi: 10.1039/c5cp03699b
  • Dynamic Molecular Graphs: “Hopping” Structures
    Cortés-Guzmán, Fernando,Rocha-Rinza, Tomas,Guevara-Vela, José Manuel,Cuevas, Gabriel,Gómez, Rosa Mar
    Chemistry - A European Journal 2014, (20), 19, 5665 - 5672
    doi: 10.1002/chem.201303287
  • Properties of atoms in electronically excited molecules within the formalism of TDDFT
    Sánchez-Flores, Eric Iván,Chávez-Calvillo, Rodrigo,Keith, Todd A.,Cuevas, Gabriel,Rocha-Rinza, Tomás
    J. Comput. Chem. 2014, (35), 10, 820 - 828
    doi: 10.1002/jcc.23559
  • Hydrogen-Bond Cooperative Effects in Small Cyclic Water Clusters as Revealed by the Interacting Quantum Atoms Approach
    Guevara-Vela, José Manuel,Chávez-Calvillo, Rodrigo,García-Revilla, Marco,Hernández-Trujillo, Jesús,C
    Chemistry - A European Journal 2013, (19), 42, 14304 - 14315
    doi: 10.1002/chem.201300656
  • Performance of popular XC-functionals for the description of excitation energies in GFP-like chromophore models
    List, Nanna Holmgaard,Olsen, Jógvan Magnus,Rocha-Rinza, Tomás,Christiansen, Ove,Kongsted, Jacob
    Int. J. Quantum Chem. 2012, (112), 3, 789 - 800
    doi: 10.1002/qua.23059
  • Valence Shell Charge Concentration (VSCC) Evolution: A Tool to Investigate the Transformations within a VSCC Throughout a Chemical Reaction
    Cortés-Guzmán, Fernando,Gómez, Rosa María,Rocha-Rinza, Tomas,Sánchez-Obregón, María Azucena,Guevara-
    J. Phys. Chem. A 2011, (115), 45, 12924 - 12932
    doi: 10.1021/jp204030e
  • Application of Electron Delocalization Indicators in the Study of Electrophilic Aromatic Substitution Reactions
    Garcia-Revilla, Marco,Rocha-Rinza, Tomas
    Current Organic Chemistry 2011, (15), 20, 3627 - 3651
    doi: 10.2174/138527211797636183
  • Unraveling the similarity of the photoabsorption of deprotonated p-coumaric acid in the gas phase and within the photoactive yellow protein
    Rocha-Rinza, Tomás,Sneskov, Kristian,Christiansen, Ove,Ryde, Ulf,Kongsted, Jacob
    Phys. Chem. Chem. Phys. 2011, (13), 4, 1585 - 1589
    doi: 10.1039/c0cp01075h
  • Absorption tuning of the green fluorescent protein chromophore: synthesis and studies of model compounds
    Nielsen, Mogens Brøndsted,Andersen, Lars H.,Rocha-Rinza, Tomás
    Monatshefte für Chemie - Chemical Monthly 2010, (142), 7, 709 - 715
    doi: 10.1007/s00706-010-0430-1
  • Spectroscopic Implications of the Electron Donor-Acceptor Effect in the Photoactive Yellow Protein Chromophore
    Rocha-Rinza, Tomás,Christiansen, Ove,Rahbek, Dennis B.,Klaerke, Benedikte,Andersen, Lars H.,Lincke,
    Chemistry - A European Journal 2010, (16), 39, 11977 - 11984
    doi: 10.1002/chem.201000417

Patentes: