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Research Output 1982 2019

  • 5120 Citations
  • 33 h-Index
  • 128 Article
  • 8 Conference contribution
  • 1 Chapter
  • 1 Letter
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Article
82 Citations (Scopus)

A bioinspired redox relay that mimics radical interactions of the Tyr-His pairs of photosystem II

Megiatto, J. D., Méndez-Hernández, D. D., Tejeda-Ferrari, M. E., Teillout, A. L., Llansola-Portolés, M. J., Kodis, G., Poluektov, O. G., Rajh, T., Mujica, V., Groy, T. L., Gust, D., Moore, T. & Moore, A., 2014, In : Nature Chemistry. 6, 5, p. 423-428 6 p.

Research output: Contribution to journalArticle

Photosystem II Protein Complex
Histidine
Tyrosine
Phenol
Phenols

A bioinspired redox relay that mimics radical interactions of the Tyr-His pairs of photosystem II.

Megiatto, J. D., Méndez-Hernández, D. D., Tejeda-Ferrari, M. E., Teillout, A. L., Llansola-Portolés, M. J., Kodis, G., Poluektov, O. G., Rajh, T., Mujica, V., Groy, T. L., Gust, D., Moore, T. A. & Moore, A. L., 2014, In : Nature Chemistry. 6, 5, p. 423-428 6 p.

Research output: Contribution to journalArticle

Photosystem II Protein Complex
Histidine
Tyrosine
Phenol
Phenols
20 Citations (Scopus)

Absorptive and dispersive processes in a two-level molecule with intramolecular coupling and non-zero permanent dipole moment

Garcia-Sucre, M., Squitieri, E., Paz, J. L. & Mujica, V., 1994, In : Journal of Physics B: Atomic, Molecular and Optical Physics. 27, 20, p. 4945-4972 28 p.

Research output: Contribution to journalArticle

dipole moments
molecules
electronics
harmonic oscillators
inclusions
1 Citation (Scopus)

A computational analysis of non-covalent interactions between aromatic compounds

Puerta, L., Lozada, M., Labrador Sánchez, H., Franco, H. J., Gonzalez, C. & Mujica, V., 2012, In : Journal of Computational Methods in Sciences and Engineering. 12, 4-6, p. 353-359 7 p.

Research output: Contribution to journalArticle

Aromatic compounds
Computational Analysis
Molecules
Benzene
Dimer
5 Citations (Scopus)

A computational study of the stability ratios of spherical coloidal particles

Guaregua M., J. A., Squitieri, E. & Mujica, V., Sep 14 2006, In : Journal of Molecular Structure: THEOCHEM. 769, 1-3, p. 165-170 6 p.

Research output: Contribution to journalArticle

Particle Size
Agglomeration
Particle size
57 Citations (Scopus)

A conformational study of the influence of vibrations on conduction in molecular wires

Olson, M., Mao, Y., Windus, T., Kemp, M., Ratner, M., Léon, N. & Mujica, V., Feb 5 1998, In : Journal of Physical Chemistry B. 102, 6, p. 941-947 7 p.

Research output: Contribution to journalArticle

wire
Wire
conduction
vibration
Dimerization
19 Citations (Scopus)

Adiabatic coordinate separation and large N‐dimensional limit in two‐electron ions

Goscinski, O. & Mujica, V., 1986, In : International Journal of Quantum Chemistry. 29, 4, p. 897-908 12 p.

Research output: Contribution to journalArticle

Ions
Kinetic energy
ions
expansion
Coulomb potential
1 Citation (Scopus)
Mathematica
Particle System
Electrolyte
Electrolytes
Interaction
6 Citations (Scopus)
Scanning tunneling microscopy
Green's function
scanning tunneling microscopy
Green's functions
Metals
83 Citations (Scopus)

A nickel phosphine complex as a fast and efficient hydrogen production catalyst

Gan, L., Groy, T. L., Pilarisetty, T., Mazinani, S. K. S., Shearer, J., Mujica, V. & Jones, A., Jan 28 2015, In : Journal of the American Chemical Society. 137, 3, p. 1109-1115 7 p.

Research output: Contribution to journalArticle

phosphine
Hydrogen production
Nickel
Catalysis
Hydrogen

Annals of the New York Academy Sciences: Introduction

Aviram, A., Mujica, V. & Ratner, M., 2002, In : Annals of the New York Academy of Sciences. 960

Research output: Contribution to journalArticle

18 Citations (Scopus)

Applications of photothermal displacement spectroscopy to the study of asphaltenes adsorption

Castillo, J., Goncalves, S., Fernández, A. & Mujica, V., Jan 1 1998, In : Optics Communications. 145, 1-6, p. 69-75 7 p.

Research output: Contribution to journalArticle

asphaltenes
Asphaltenes
Spectroscopy
Adsorption
adsorption
29 Citations (Scopus)

A quasimolecular approach to the conductance of molecule-metal junctions: Theory and application to voltage-induced conductance switching

Gonzalez, C., Simón-Manso, Y., Batteas, J., Marquez, M., Ratner, M. & Mujica, V., Dec 2 2004, In : Journal of Physical Chemistry B. 108, 48, p. 18414-18420 7 p.

Research output: Contribution to journalArticle

Metals
Molecules
Electric potential
electric potential
methodology
5 Citations (Scopus)
Ionic conduction
ion motion
ethylene oxide
Polyethylene oxides
Polymers
13 Citations (Scopus)

A simple model for laser-electrode interaction and its role in photo-assisted electron transport processes in molecular interfaces

Urdaneta, I., Keller, A., Atabek, O. & Mujica, V., Nov 14 2005, In : Journal of Physics B: Atomic, Molecular and Optical Physics. 38, 21, p. 3779-3794 16 p.

Research output: Contribution to journalArticle

electrodes
lasers
electrons
interactions
electron distribution
2 Citations (Scopus)

A Simple Theoretical Model to Study the Voltage Dependence of the Electronic Structure of Phenyl Ethylene Oligomers

Simón-Manso, Y., Gonzalez, C., Mujica, V., Aray, Y. & Marquez, M., Dec 2003, In : Annals of the New York Academy of Sciences. 1006, p. 68-81 14 p.

Research output: Contribution to journalArticle

Equipment Design
Fluorine
Oligomers
Electronic structure
Electrodes
1 Citation (Scopus)

A spin polarization transfer approach to intermolecular interactions between hydrocarbon aromatic compounds and free radicals

Lozsán, A., Nieto, P., Acevedo, S. & Mujica, V., Oct 31 2002, In : Journal of Physical Chemistry A. 106, 43, p. 10374-10379 6 p.

Research output: Contribution to journalArticle

Hamiltonians
Spin polarization
aromatic compounds
Aromatic compounds
free radicals
32 Citations (Scopus)

A stochastic surrogate Hamiltonian approach of coherent and incoherent exciton transport in the Fenna-Matthews-Olson complex

Renaud, N., Ratner, M. A. & Mujica, V., Aug 21 2011, In : Journal of Chemical Physics. 135, 7, 075102.

Research output: Contribution to journalArticle

Bacteriochlorophylls
Hamiltonians
Energy Transfer
excitons
Energy transfer

Atomically precise gold catalysis

Krishna, K. S., Liu, J., Pilarisetty, T., Mujica, V., Spivey, J. J. & Kumar, C. S. S. R., 2015, In : RSC Catalysis Series. 2015-January, 22, p. 87-122 36 p.

Research output: Contribution to journalArticle

Gold
Catalysis
15 Citations (Scopus)

Building and testing correlations for the estimation of one-electron reduction potentials of a diverse set of organic molecules

Méndez-Hernández, D. D., Gillmore, J. G., Montano, L. A., Gust, D., Moore, T., Moore, A. & Mujica, V., May 1 2015, In : Journal of Physical Organic Chemistry. 28, 5, p. 320-328 9 p.

Research output: Contribution to journalArticle

Molecules
Electrons
Testing
molecules
electrons
47 Citations (Scopus)

Caging of molecules by asphaltenes. A model for free radical preservation in crude oils

Mujica, V., Nieto, P., Puerta, L. & Acevedo, S., May 2000, In : Energy and Fuels. 14, 3, p. 632-639 8 p.

Research output: Contribution to journalArticle

Asphaltenes
Petroleum
Free radicals
Free Radicals
Crude oil
23 Citations (Scopus)

Catalytic hydrogen evolution by Fe(II) carbonyls featuring a dithiolate and a chelating phosphine

Roy, S., Mazinani, S. K. S., Groy, T. L., Gan, L., Pilarisetty, T., Mujica, V. & Jones, A., Sep 2 2014, In : Inorganic Chemistry. 53, 17, p. 8919-8929 11 p.

Research output: Contribution to journalArticle

phosphine
Carbon Monoxide
Chelation
phosphines
Hydrogen
29 Citations (Scopus)

Chemically induced magnetism in atomically precise gold clusters

Krishna, K. S., Pilarisetty, T., Mujica, V. & Kumar, C. S. S. R., Mar 12 2014, In : Small. 10, 5, p. 907-911 5 p.

Research output: Contribution to journalArticle

Magnetism
Gold
Magnetic properties
Ligands
Temperature
38 Citations (Scopus)

Chemisorption-induced spin symmetry breaking in gold clusters and the onset of paramagnetism in capped gold nanoparticles

Gonzalez, C., Simón-Manso, Y., Marquez, M. & Mujica, V., Jan 19 2006, In : Journal of Physical Chemistry B. 110, 2, p. 687-691 5 p.

Research output: Contribution to journalArticle

Paramagnetism
paramagnetism
Chemisorption
Gold
chemisorption
10 Citations (Scopus)
Microscopes
microscopes
Electron tunneling
dissociation
chemistry
94 Citations (Scopus)

Chiral electron transport: Scattering through helical potentials

Yeganeh, S., Ratner, M. A., Medina, E. & Mujica, V., 2009, In : Journal of Chemical Physics. 131, 1, 014707.

Research output: Contribution to journalArticle

Scattering
helices
Electrons
scattering
electrons
6 Citations (Scopus)

Chirality-Induced Electron Spin Polarization and Enantiospecific Response in Solid-State Cross-Polarization Nuclear Magnetic Resonance

Santos, J. I., Rivilla, I., Cossío, F. P., Matxain, J. M., Grzelczak, M., Mazinani, S. K. S., Ugalde, J. M. & Mujica, V., Nov 27 2018, In : ACS Nano. 12, 11, p. 11426-11433 8 p.

Research output: Contribution to journalArticle

Spin polarization
Chirality
cross polarization
chirality
electron spin
1 Citation (Scopus)

Chirality-Induced Spin Selectivity in a Coarse-Grained Tight-Binding Model for Helicene

Geyer, M., Gutierrez, R., Mujica, V. & Cuniberti, G., Nov 7 2019, In : Journal of Physical Chemistry C. 123, 44, p. 27230-27241 12 p.

Research output: Contribution to journalArticle

Chirality
chirality
Hamiltonians
selectivity
Spin polarization
66 Citations (Scopus)

Chiral molecular films as electron polarizers and polarization modulators

Medina, E., López, F., Ratner, M. A. & Mujica, V., Jul 2012, In : EPL. 99, 1, 17006.

Research output: Contribution to journalArticle

polarizers
modulators
polarization
electrons
scattering
21 Citations (Scopus)

CO2 preactivation in photoinduced reduction via surface functionalization of TiO2 nanoparticles

Finkelstein-Shapiro, D., Petrosko, S. H., Dimitrijevic, N. M., Gosztola, D., Gray, K. A., Rajh, T., Pilarisetty, T. & Mujica, V., Feb 7 2013, In : Journal of Physical Chemistry Letters. 4, 3, p. 475-479 5 p.

Research output: Contribution to journalArticle

Nanoparticles
Charge transfer
nanoparticles
charge transfer
Molecular orbitals
39 Citations (Scopus)

Continuum model for chiral induced spin selectivity in helical molecules

Medina, E., González-Arraga, L. A., Finkelstein-Shapiro, D., Berche, B. & Mujica, V., May 21 2015, In : Journal of Chemical Physics. 142, 19, 194308.

Research output: Contribution to journalArticle

Chirality
selectivity
continuums
Molecules
Orbits
160 Citations (Scopus)

Correlating electron transport and molecular structure in organic thin films

Holmlin, R. E., Ismagilov, R. F., Haag, R., Mujica, V., Ratner, M. A., Rampi, M. A. & Whitesides, G. M., Jun 18 2001, In : Angewandte Chemie - International Edition. 40, 12, p. 2316-2320 5 p.

Research output: Contribution to journalArticle

Self assembled monolayers
Sulfhydryl Compounds
Molecular structure
Hydrogen
Thin films

Correlations between the maximum parameters of DLVO interaction energy curves and the electrolyte concentration

Guaregua, J. A., Squitieri, E. & Mujica, V., 2009, In : Journal of Computational Methods in Sciences and Engineering. 9, 4-6, p. 241-256 16 p.

Research output: Contribution to journalArticle

Electrolyte
Electrolytes
Curve
Potential energy
Energy
8 Citations (Scopus)

Cotunneling model for current-induced events in molecular wires

Hansen, T., Mujica, V. & Ratner, M. A., Oct 2008, In : Nano Letters. 8, 10, p. 3525-3531 7 p.

Research output: Contribution to journalArticle

Induced currents
wire
Wire
dissociation
Acetylene
10 Citations (Scopus)

Current and noise in a model of an alternating current scanning tunneling microscope molecule-metal junction

Guyon, R., Jonckheere, T., Mujica, V., Cŕpieux, A. & Martin, T., 2005, In : Journal of Chemical Physics. 122, 14, 144703.

Research output: Contribution to journalArticle

alternating current
Microscopes
Metals
microscopes
Scanning
308 Citations (Scopus)
Coulomb blockade
stairways
rectification
Current voltage characteristics
eigenvalues
57 Citations (Scopus)

Current-voltage characteristics of tunneling molecular junctions for off-resonance injection

Mujica, V. & Ratner, M. A., Mar 1 2001, In : Chemical Physics. 264, 3, p. 365-370 6 p.

Research output: Contribution to journalArticle

Current voltage characteristics
injection
Molecules
Electric potential
electric potential
21 Citations (Scopus)
Spin polarization
Nanoclusters
Magnetism
nanoclusters
Gold
6 Citations (Scopus)

Dipole orientation and surface cluster size effects on chemisorption- induced magnetism: A DFT study of the interaction of gold-thiopolypeptide

Puerta, L., Franco, H. J., Murgich, J., Gonzalez, C., Simón-Manso, Y. & Mujica, V., Oct 9 2008, In : Journal of Physical Chemistry A. 112, 40, p. 9771-9783 13 p.

Research output: Contribution to journalArticle

Magnetism
Adsorbates
Chemisorption
Discrete Fourier transforms
Gold
29 Citations (Scopus)

Dopamine adsorption on TiO2 anatase surfaces

Urdaneta, I., Keller, A., Atabek, O., Palma, J. L., Finkelstein-Shapiro, D., Pilarisetty, T., Mujica, V. & Calatayud, M., Sep 4 2014, In : Journal of Physical Chemistry C. 118, 35, p. 20688-20693 6 p.

Research output: Contribution to journalArticle

dopamine
anatase
Titanium dioxide
Dopamine
Adsorption
5 Citations (Scopus)

Dynamic coordinate separation and state-dependent potentials. An analysis of localization in helium

Mujica, V., Li, Y. & Goscinski, O., Apr 1 1987, In : Chemical Physics. 112, 2, p. 159-172 14 p.

Research output: Contribution to journalArticle

Helium
Wave functions
helium
Hylleraas coordinates
Hamiltonians
19 Citations (Scopus)

Dynamics of charge transfer: Rate processes formulated with nonequilibrium Green's functions

Yeganeh, S., Ratner, M. A. & Mujica, V., 2007, In : Journal of Chemical Physics. 126, 16, 161103.

Research output: Contribution to journalArticle

Green's function
Charge transfer
electron transfer
Green's functions
charge transfer
24 Citations (Scopus)
Orbits
DNA
deoxyribonucleic acid
orbits
helices
13 Citations (Scopus)

Electrochemical capture and release of carbon dioxide using a disulfide-thiocarbonate redox cycle

Singh, P., Rheinhardt, J. H., Olson, J. Z., Pilarisetty, T., Mujica, V. & Buttry, D., Jan 25 2017, In : Journal of the American Chemical Society. 139, 3, p. 1033-1036 4 p.

Research output: Contribution to journalArticle

Ionic Liquids
Dimethylformamide
Carbamates
Fourier Transform Infrared Spectroscopy
Binding energy
493 Citations (Scopus)

Electron conduction in molecular wires. I. A scattering formalism

Mujica, V., Kemp, M. & Ratner, M. A., 1994, In : The Journal of Chemical Physics. 101, 8, p. 6849-6855 7 p.

Research output: Contribution to journalArticle

conduction electrons
electron transfer
wire
Wire
Scattering
232 Citations (Scopus)

Electron conduction in molecular wires. II. Application to scanning tunneling microscopy

Mujica, V., Kemp, M. & Ratner, M. A., 1994, In : The Journal of Chemical Physics. 101, 8, p. 6856-6864 9 p.

Research output: Contribution to journalArticle

Scanning tunneling microscopy
conduction electrons
scanning tunneling microscopy
wire
Wire
6 Citations (Scopus)

Electron correlation in doubly excited states of helium and extensions to beryllium and magnesium

Mujica, V., Goscinski, O. & Sangfelt, E., Jul 1 1984, In : Chemical Physics. 87, 3, p. 473-484 12 p.

Research output: Contribution to journalArticle

Beryllium
Electron correlations
Helium
beryllium
Excited states
5 Citations (Scopus)

Electronic Structure and Triplet–Triplet Energy Transfer in Artificial Photosynthetic Antennas

Tejeda-Ferrari, M. E., Brown, C. L., Coutinho, G. C. C. C., Gomes de Sá, G. A., Palma, J. L., Llansola-Portoles, M. J., Kodis, G., Mujica, V., Ho, J., Gust, D., Moore, T. & Moore, A., Jan 1 2018, (Accepted/In press) In : Photochemistry and Photobiology.

Research output: Contribution to journalArticle

carotenoids
Energy Transfer
Carotenoids
Energy transfer
Electronic structure
4 Citations (Scopus)

Electronic transport across hydrogen bonds in organic electronics

Meidanshahi, R. V., Mazinani, S. K. S., Mujica, V. & Pilarisetty, T., 2014, In : International Journal of Nanotechnology. 12, 3-4, p. 297-312 16 p.

Research output: Contribution to journalArticle

Hydrogen bonds
Electronic equipment
hydrogen bonds
electronics
Biological systems
80 Citations (Scopus)

Electron transfer in molecules and molecular wires: Geometry dependence, coherent transfer, and control

Mujica, V., Nitzan, A., Mao, Y., Davis, W., Kemp, M., Roitberg, A. & Ratner, M. A., 1999, In : Advances in Chemical Physics. 107, p. 403-429 27 p.

Research output: Contribution to journalArticle

Wire
Molecules
Geometry
Electrons