Publicaciones en colaboración con investigadores/as de University of Minnesota (22)

2023

  1. Proximal hyperspectral sensing of abiotic stresses in plants

    Science of the Total Environment, Vol. 861

  2. The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry

    Journal of Chemical Theory and Computation, Vol. 19, Núm. 20, pp. 6933-6991

2019

  1. Best practices for measuring emerging light-emitting diode technologies

    Nature Photonics

  2. OpenMolcas: From Source Code to Insight

    Journal of Chemical Theory and Computation, Vol. 15, Núm. 11, pp. 5925-5964

2016

  1. Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table

    Journal of Computational Chemistry, Vol. 37, Núm. 5, pp. 506-541

2015

  1. Analysis of multi-source metabolomic data using joint and individual variation explained (JIVE)

    Analyst, Vol. 140, Núm. 13, pp. 4521-4529

2014

  1. In vitro and in vivo evaluation of water-soluble iminophosphorane ruthenium(II) compounds. A potential chemotherapeutic agent for triple negative breast cancer

    Journal of Medicinal Chemistry, Vol. 57, Núm. 23, pp. 9995-10012

  2. Triggering the generation of an iron(IV)-oxo compound and its reactivity toward sulfides by RuII photocatalysis

    Journal of the American Chemical Society, Vol. 136, Núm. 12, pp. 4624-4633

2013

  1. Carbon nanotube-protein carriers enhance size-dependent self-adjuvant antibody response to haptens

    Journal of Controlled Release, Vol. 170, Núm. 2, pp. 242-251

  2. Impact of the synergistic collaboration of oligothiophene bridges and ruthenium complexes on the optical properties of dumbbell-shaped compounds

    Chemistry - A European Journal, Vol. 19, Núm. 4, pp. 1476-1488

2011

  1. MT103 inhibits tumor growth with minimal toxicity in murine model of lung carcinoma via induction of apoptosis

    Investigational New Drugs, Vol. 29, Núm. 5, pp. 846-852

2009

  1. Critical role of substrate conformational change in the proton transfer process catalyzed by 4-oxalocrotonate tautomerase

    Journal of the American Chemical Society, Vol. 131, Núm. 7, pp. 2687-2698

2008

  1. A novel quinoline, MT477: Suppresses cell signaling through Ras molecular pathway, inhibits PKC activity, and demonstrates in vivo anti-tumor activity against human carcinoma cell lines

    Investigational New Drugs, Vol. 26, Núm. 3, pp. 223-232

2006

  1. Computational methods in developing quantitative structure-activity relationships (QSAR): A review

    Combinatorial Chemistry and High Throughput Screening, Vol. 9, Núm. 3, pp. 213-228

2004

  1. Spectroscopic and theoretical study of the molecular and electronic structures of a terthiophene-based quinodimethane

    ChemPhysChem, Vol. 5, Núm. 4, pp. 529-539

2003

  1. Nitro-functionalized oligothiophenes as a novel type of electroactive molecular material: Spectroscopic, electrochemical, and computational study

    Journal of the American Chemical Society, Vol. 125, Núm. 9, pp. 2524-2534

  2. UV-Vis, IR, Raman and theoretical characterization of a novel quinoid oligothiophene molecular material

    Journal of Molecular Structure

2002

  1. Combined spectroelectrochemical and theoretical study of a vinylene-bridged sexithiophene cooligomer: Analysis of the π-electron delocalization and of the electronic defects generated upon doping

    Journal of Physical Chemistry B, Vol. 106, Núm. 15, pp. 3872-3881

  2. Quinonoid oligothiophenes as electron-donor and electron-acceptor materials. A spectroelectrochemical and theoretical study

    Journal of the American Chemical Society, Vol. 124, Núm. 41, pp. 12380-12388

1996

  1. Ab initio study of the internal rotation potential of p-disilanylbenzene and p-(1,1′2,2′-tetramethyldisilanyl)benzene

    Journal of Molecular Structure: THEOCHEM, Vol. 371, Núm. 1-3 SPEC. ISS., pp. 97-105