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Research Output 1982 2019

  • 5082 Citations
  • 33 h-Index
  • 128 Article
  • 8 Conference contribution
  • 1 Chapter
  • 1 Letter
2019

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

Energy localization and excess fluctuations from long-range interactions in equilibrium molecular dynamics

Chamberlin, R. V., Mujica, V., Izvekov, S. & Larentzos, J. P., Jan 1 2019, (Accepted/In press) In : Physica A: Statistical Mechanics and its Applications. 123228.

Research output: Contribution to journalArticle

Long-range Interactions
Molecular Dynamics
Excess
Fluctuations
molecular dynamics

Intrinsic Rashba coupling due to hydrogen bonding in DNA

Varela, S., Montañes, B., López, F., Berche, B., Guillot, B., Mujica, V. & Medina, E., Sep 28 2019, In : Journal of Chemical Physics. 151, 12, 125102.

Research output: Contribution to journalArticle

Hydrogen bonds
deoxyribonucleic acid
DNA
hydrogen
Oligopeptides

Reply to "comment on 'Chirality-Induced Electron Spin Polarization and Enantiospecific Response in Solid-State Cross-Polarization Nuclear Magnetic Resonance'"

Santos, J. I., Rivilla, I., Cossío, F. P., García-García, F. J., Matxain, J. M., Grzeliczak, M., Mazinani, S. K. S., Ugalde, J. M. & Mujica, V., Jan 1 2019, In : ACS Nano.

Research output: Contribution to journalLetter

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

Selective Transmission of Phonons in Molecular Junctions with Nanoscopic Thermal Baths

Medrano Sandonas, L., Rodríguez Méndez, Á., Gutierrez, R., Ugalde, J. M., Mujica, V. & Cuniberti, G., Apr 18 2019, In : Journal of Physical Chemistry C. 123, 15, p. 9680-9687 8 p.

Research output: Contribution to journalArticle

Phonons
baths
phonons
molecular chains
Energy harvesting
2018
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
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
13 Citations (Scopus)

Enhanced Magnetoresistance in Chiral Molecular Junctions

Maslyuk, V. V., Gutierrez, R., Dianat, A., Mujica, V. & Cuniberti, G., Sep 20 2018, In : Journal of Physical Chemistry Letters. 9, 18, p. 5453-5459 7 p.

Research output: Contribution to journalArticle

Enhanced magnetoresistance
Spin polarization
Chirality
Conformations
chirality
3 Citations (Scopus)

Spin-orbit coupling modulation in DNA by mechanical deformations

Salazar, S. V., Mujica, V. & Medina, E., Jan 1 2018, In : Chimia. 72, 6, p. 411-417 7 p.

Research output: Contribution to journalArticle

Orbits
Modulation
DNA
Molecules
Analytical models
4 Citations (Scopus)

Thermal Decoherence and Disorder Effects on Chiral-Induced Spin Selectivity

Díaz, E., Domínguez-Adame, F., Gutierrez, R., Cuniberti, G. & Mujica, V., Oct 4 2018, In : Journal of Physical Chemistry Letters. 9, 19, p. 5753-5758 6 p.

Research output: Contribution to journalArticle

Spin polarization
selectivity
disorders
polarization
Hamiltonians
2017
12 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
41 Citations (Scopus)

Gate-controlled conductance switching in DNA

Xiang, L., Palma, J. L., Li, Y., Mujica, V., Ratner, M. A. & Tao, N., Feb 20 2017, In : Nature Communications. 8, 14471.

Research output: Contribution to journalArticle

deoxyribonucleic acid
Oxidation-Reduction
DNA
Switches
Redox reactions
34 Citations (Scopus)

Measuring the Spin-Polarization Power of a Single Chiral Molecule

Aragonès, A. C., Medina, E., Ferrer-Huerta, M., Gimeno, N., Teixidó, M., Palma, J. L., Tao, N., Ugalde, J. M., Giralt, E., Díez-Pérez, I. & Mujica, V., Jan 1 2017, In : Small (Weinheim an der Bergstrasse, Germany). 13, 2

Research output: Contribution to journalArticle

Spin polarization
Peptides
Molecules
Chirality
Isomers
2016
24 Citations (Scopus)
Orbits
DNA
deoxyribonucleic acid
orbits
helices
29 Citations (Scopus)

Non-exponential Length Dependence of Conductance in Iodide-Terminated Oligothiophene Single-Molecule Tunneling Junctions

Xiang, L., Hines, T., Palma, J. L., Lu, X., Mujica, V., Ratner, M. A., Zhou, G. & Tao, N., Jan 20 2016, In : Journal of the American Chemical Society. 138, 2, p. 679-687 9 p.

Research output: Contribution to journalArticle

Photoelectron Spectroscopy
Iodides
Spectrum Analysis
Electrodes
Molecules
6 Citations (Scopus)

Nonlinear Fano interferences in open quantum systems: An exactly solvable model

Finkelstein-Shapiro, D., Calatayud, M., Atabek, O., Mujica, V. & Keller, A., Jun 16 2016, In : Physical Review A - Atomic, Molecular, and Optical Physics. 93, 6, 063414.

Research output: Contribution to journalArticle

continuums
interference
linear transformations
Liouville equations
population inversion
8 Citations (Scopus)

Polarizability as a molecular descriptor for conductance in organic molecular circuits

Mazinani, S. K. S., Meidanshahi, R. V., Palma, J. L., Pilarisetty, T., Hansen, T., Ratner, M. A. & Mujica, V., Nov 17 2016, In : Journal of Physical Chemistry C. 120, 45, p. 26054-26060 7 p.

Research output: Contribution to journalArticle

Networks (circuits)
Molecules
Electrodes
Molecular orbitals
molecules
5 Citations (Scopus)

Single-Molecule Conductance through Hydrogen Bonds: The Role of Resonances

Wimmer, M., Palma, J. L., Pilarisetty, T. & Mujica, V., Aug 4 2016, In : Journal of Physical Chemistry Letters. 7, 15, p. 2977-2980 4 p.

Research output: Contribution to journalArticle

Alkanes
Paraffins
alkanes
Hydrogen bonds
hydrogen bonds
2 Citations (Scopus)

Solvent Effects on the Dynamic Polarizability and Raman Response of Molecule–Metal Oxide Hybrid Clusters

Orozco-Gonzalez, Y., Pilarisetty, T., Canuto, S. & Mujica, V., Aug 18 2016, In : ChemPhysChem. p. 2590-2595 6 p.

Research output: Contribution to journalArticle

Oxides
oxides
Nanoparticles
nanoparticles
metal oxides
2015
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

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
35 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
9 Citations (Scopus)

Fano-Liouville Spectral Signatures in Open Quantum Systems

Finkelstein-Shapiro, D., Urdaneta, I., Calatayud, M., Atabek, O., Mujica, V. & Keller, A., Sep 10 2015, In : Physical Review Letters. 115, 11, 113006.

Research output: Contribution to journalArticle

spectral signatures
line shape
photoionization
profiles
scattering amplitude
107 Citations (Scopus)

Intermediate tunnelling-hopping regime in DNA charge transport

Xiang, L., Palma, J. L., Bruot, C., Mujica, V., Ratner, M. A. & Tao, N., 2015, In : Nature Chemistry. 7, 3, p. 221-226 6 p.

Research output: Contribution to journalArticle

Charge transfer
DNA
DNA sequences
Cytosine
Guanine
3 Citations (Scopus)

Nano-plasmonics: Chirality transfer takes a jump

Mujica, V., Jun 23 2015, In : Nature Chemistry. 7, 7, p. 543-544 2 p.

Research output: Contribution to journalArticle

Chirality
Surface plasmon resonance
Nanostructures
18 Citations (Scopus)

Piezoresistivity in single DNA molecules

Bruot, C., Palma, J. L., Xiang, L., Mujica, V., Ratner, M. A. & Tao, N., Sep 4 2015, In : Nature Communications. 6, 8032.

Research output: Contribution to journalArticle

deoxyribonucleic acid
Molecules
DNA
molecules
Orbital calculations
13 Citations (Scopus)

Spatial modulation of light transmission through a single microcavity by coupling of photosynthetic complex excitations to surface plasmons

Carmeli, I., Cohen, M., Heifler, O., Lilach, Y., Zalevsky, Z., Mujica, V. & Richter, S., Jun 9 2015, In : Nature Communications. 6, 7334.

Research output: Contribution to journalArticle

Photosynthetic Reaction Center Complex Proteins
Plasmons
Microcavities
light transmission
Light transmission
2014
79 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
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
28 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
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
16 Citations (Scopus)
Inelastic scattering
Electron scattering
Orbit
electron scattering
inelastic scattering
7 Citations (Scopus)

Probing Raman enhancement in a dopamine-Ti2O4 hybrid using stretched molecular geometries

Urdaneta, I., Pilmé, J., Keller, A., Atabek, O., Pilarisetty, T., Mujica, V. & Calatayud, M., Feb 20 2014, In : Journal of Physical Chemistry A. 118, 7, p. 1196-1202 7 p.

Research output: Contribution to journalArticle

dopamine
Dopamine
Nanoparticles
nanoparticles
Geometry
9 Citations (Scopus)

Probing the nature of charge transfer at nano-bio interfaces: Peptides on metal oxide nanoparticles

Pilarisetty, T., Palma, J. L., Holland, G. P., Fromme, P., Yarger, J. & Mujica, V., Oct 16 2014, In : Journal of Physical Chemistry Letters. 5, 20, p. 3555-3559 5 p.

Research output: Contribution to journalArticle

Oxides
Peptides
peptides
metal oxides
Photosystem I Protein Complex
17 Citations (Scopus)

SERS as a probe of charge-transfer pathways in hybrid dye/molecule-metal oxide complexes

Pilarisetty, T., Palma, J. L., Finkelstein-Shapiro, D., Keller, A., Urdaneta, I., Calatayud, M., Atabek, O. & Mujica, V., Feb 20 2014, In : Journal of Physical Chemistry C. 118, 7, p. 3774-3782 9 p.

Research output: Contribution to journalArticle

Oxides
metal oxides
Charge transfer
Raman scattering
Coloring Agents
30 Citations (Scopus)

The amplifying effect of natural convection on power generation of thermogalvanic cells

Gunawan, A., Li, H., Lin, C. H., Buttry, D., Mujica, V., Taylor, R. A., Prasher, R. S. & Phelan, P., 2014, In : International Journal of Heat and Mass Transfer. 78, p. 423-434 12 p.

Research output: Contribution to journalArticle

Natural convection
free convection
Power generation
Electrodes
Electrolytes
2013
10 Citations (Scopus)
Microscopes
microscopes
Electron tunneling
dissociation
chemistry
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

Electrode separation and operating orientation: Mechanisms for maximizing performance of Cu/Cu2+ aqueous thermogalvanic cells

Li, H., Gunawan, A., Phelan, P., Buttry, D., Mujica, V., Taylor, R. A. & Prasher, R. S., 2013, ASME International Mechanical Engineering Congress and Exposition, Proceedings (IMECE). American Society of Mechanical Engineers (ASME), Vol. 6 A.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Electrodes
31 Citations (Scopus)

Gated-controlled rectification of a self-assembled monolayer-based transistor

Mentovich, E. D., Rosenberg-Shraga, N., Kalifa, I., Gozin, M., Mujica, V., Hansen, T. & Richter, S., Apr 25 2013, In : Journal of Physical Chemistry C. 117, 16, p. 8468-8474 7 p.

Research output: Contribution to journalArticle

Self assembled monolayers
rectification
Transistors
transistors
Electric potential
11 Citations (Scopus)

Kinetic energy dependence of spin filtering of electrons transmitted through organized layers of DNA

Rosenberg, R. A., Symonds, J. M., Kalyanaraman, V., Markus, T., Orlando, T. M., Naaman, R., Medina, E. A., López, F. A. & Mujica, V., Oct 31 2013, In : Journal of Physical Chemistry C. 117, 43, p. 22307-22313 7 p.

Research output: Contribution to journalArticle

Kinetic energy
Dichroism
DNA
deoxyribonucleic acid
kinetic energy
79 Citations (Scopus)

Liquid thermoelectrics: Review of recent and limited new data of Thermogalvanic cell experiments

Gunawan, A., Lin, C. H., Buttry, D., Mujica, V., Taylor, R. A., Prasher, R. S. & Phelan, P., Nov 1 2013, In : Nanoscale and Microscale Thermophysical Engineering. 17, 4, p. 304-323 20 p.

Research output: Contribution to journalArticle

Power generation
Seebeck coefficient
Electrochemical cells
Liquids
liquids
48 Citations (Scopus)
Polycyclic Aromatic Hydrocarbons
polycyclic aromatic hydrocarbons
Polycyclic aromatic hydrocarbons
Discrete Fourier transforms
methodology
2012
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
64 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
1 Citation (Scopus)

Electronic and vibrational properties of magnetic core-shell nanoparticles

Di Bernardo, A., Pilarisetty, T. & Mujica, V., 2012, Proceedings of 6th European Conference on Antennas and Propagation, EuCAP 2012. p. 199-202 4 p. 6206651

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Magnetic cores
Nanoparticles
Vibrational spectra
Remote control
Biocompatibility
5 Citations (Scopus)

Optimization of cell configuration for maximizing performance of a Cu/Cu2+aqueous thermogalvanic cell

Lin, C. H., Gunawan, A., Phelan, P., Buttry, D., Mujica, V., Taylor, R. A. & Prasher, R., 2012, ASME International Mechanical Engineering Congress and Exposition, Proceedings (IMECE). PARTS A AND B ed. Vol. 6. p. 541-547 7 p.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Electrolytes
Seebeck coefficient
Geometry
Conversion efficiency
Electrodes