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Molecules
139
"Relativistic corrections to the electric field gradient given by linear response elimination of the small component formalism"
(2019) Melo, J.I.; Maldonado, A.F. International Journal of Quantum Chemistry
"Theoretical models to calculate stopping and ionization ratios of H2+ molecules in solid targets"
(2019) Archubi, C.D.; Arista, N.R. Physical Review A. 99(3)
"Covalent Anchoring and Interfacial Reactions of Adsorbed Porphyrins on Rutile TiO2(110)"
(2018) Wechsler, D.;Fernández, C.C.;Steinrück, H.-P. (
...
)Williams, F.J. Journal of Physical Chemistry C. 122(8):4480-4487
"Electronic Structure of a Self-Assembled Monolayer with Two Surface Anchors: 6-Mercaptopurine on Au(111)"
(2018) Fernández, C.C.;Pensa, E.;Carro, P. (
...
)Williams, F.J. Langmuir. 34(20):5696-5702
"Exploring the 13CO/C18O abundance ratio towards Galactic young stellar objects and H II regions"
(2018) Areal, M.B.; Paron, S.; Peña, M.C.; Ortega, M.E. Astronomy and Astrophysics. 612
"Synthesis, crystal structure and magnetic properties of diaquabis(2,6-diamino-7H-purin-1-ium-κN9)bis(4,4′-oxydibenzoato-κO)cobalt(II) dihydrate"
(2018) Atria, A.M.;Parada, J.;Moreno, Y. (
...
)Peña, O. Acta Crystallographica Section C: Structural Chemistry. 74(1):37-44
"Foundations of the LRESC model for response properties and some applications"
(2018) Aucar, G.A.; Melo, J.I.; Aucar, I.A.; Maldonado, A.F. International Journal of Quantum Chemistry. 118(1)
"Tuning the morphological structure, light absorption, and photocatalytic activity of Bi2WO6 and Bi2WO6-BiOCl through cerium doping"
(2018) Hojamberdiev, M.;Kadirova, Z.C.;Zahedi, E. (
...
)Okada, K. Arabian Journal of Chemistry
"Mapping the 13CO/C18O abundance ratio in the massive star-forming region G29.96-0.02"
(2018) Paron, S.; Areal, M.B.; Ortega, M.E. Astronomy and Astrophysics. 617
"Incorporation of beads into oral films for buccal and oral delivery of bioactive molecules"
(2018) Castro, P.M.;Sousa, F.;Magalhães, R. (
...
)Pintado, M.E. Carbohydrate Polymers. 194:411-421
"Analysis of the interactions in FCCF:(H2O) and FCCF:(H2O)2 complexes through the study of their indirect spin–spin coupling constants"
(2018) Caputo, M.C.; Alkorta, I.; Provasi, P.F.; Sauer, S.P.A. Molecular Physics. 116(18):2396-2405
"Cold-Adaptation Signatures in the Ligand Rebinding Kinetics to the Truncated Hemoglobin of the Antarctic Bacterium Pseudoalteromonas haloplanktis TAC125"
(2018) Boubeta, F.M.;Boechi, L.;Estrin, D. (
...
)Viappiani, C. Journal of Physical Chemistry B. 122(49):11649-11661
"Two-stage three-channel Kondo physics for an FePc molecule on the Au(1 1 1) surface"
(2018) Fernández, J.; Roura-Bas, P.; Camjayi, A.; Aligia, A.A. Journal of Physics Condensed Matter. 30(37)
"V-Shaped Molecular Configuration of Wax Esters of Jojoba Oil in a Langmuir Film Model"
(2018) Caruso, B.; Martini, M.F.; Pickholz, M.; Perillo, M.A. Langmuir. 34(26):7887-7898
"Electric Dipole-Magnetic Dipole Polarizability and Anapole Magnetizability of Hydrogen Peroxide as Functions of the HOOH Dihedral Angle"
(2017) Pelloni, S.;Provasi, P.F.;Pagola, G.I. (
...
)Lazzeretti, P. Journal of Physical Chemistry A. 121(48):9369-9376
"Water Confined in Mesoporous TiO2 Aerosols: Insights from NMR Experiments and Molecular Dynamics Simulations"
(2017) Velasco, M.I.;Franzoni, M.B.;Franceschini, E.A. (
...
)Soler-Illia, G.J.A.A. Journal of Physical Chemistry C. 121(13):7533-7541
"HNO Is Produced by the Reaction of NO with Thiols"
(2017) Suarez, S.A.;Muñoz, M.;Alvarez, L. (
...
)Doctorovich, F. Journal of the American Chemical Society. 139(41):14483-14487
"Redox behavior of a low-doped Pr-CeO 2 (111) surface. A DFT+U study"
(2017) Milberg, B.; Juan, A.; Irigoyen, B. Applied Surface Science. 401:206-217
"A dynamic look on molecular symmetry"
(2017) Barón, M.; Bain, A.D.; Conde, R.S. Canadian Journal of Chemistry. 95(7):736-743
"Molecular conformation of linear alkane molecules: From gas phase to bulk water through the interface"
(2017) Murina, E.L.; Fernández-Prini, R.; Pastorino, C. Journal of Chemical Physics. 147(6)
"Polymorphism of a widely used building block for halogen-bonded assemblies: 1,3,5-Trifluoro-2,4,6-Triiodobenzene"
(2017) Raffo, P.A.;Suárez, S.;Fantoni, A.C. (
...
)Cukiernik, F.D. Acta Crystallographica Section C: Structural Chemistry. 73(9):667-673
"Surface influence on the metalation of porphyrins at the solid-liquid interface"
(2017) Fernandez, C.C.; Spedalieri, C.; Murgida, D.H.; Williams, F.J. Journal of Physical Chemistry C. 121(39):21324-21332
"Energetics of neutral and deprotonated (Z)-cinnamic acid"
(2016) Dávalos, J.Z.;Lima, C.F.R.A.C.;Silva, A.M.S. (
...
)Salum, M.L. Journal of Chemical Thermodynamics. 95:195-201
"A Photochromic Bioconjugate with Photoactivatable Fluorescence for Superresolution Imaging"
(2016) Cusido, J.;Ragab, S.S.;Thapaliya, E.R. (
...
)Bossi, M.L. Journal of Physical Chemistry C. 120(23):12860-12870
"Positional Isotope Exchange in HX·(H2O)n (X = F, I) Clusters at Low Temperatures"
(2016) Litman, Y.E.; Videla, P.E.; Rodriguez, J.; Laria, D. Journal of Physical Chemistry A. 120(36):7213-7224
"Structural and theoretical characterization of a new twisted 4′-substituted terpyridine compound: 4′-(isoquinolin-4-yl)-2,2′:6′,2′′-terpyridine"
(2016) Granifo, J.;Arévalo, B.;Gaviño, R. (
...
)Baggio, R. Acta Crystallographica Section C: Structural Chemistry. 72:932-938
"Electrochemical gating of single osmium molecules tethered to Au surfaces"
(2016) Herrera, S.; Adam, C.; Ricci, A.; Calvo, E.J. Journal of Solid State Electrochemistry. 20(4):957-967
"Access and Binding of H2S to Hemeproteins: The Case of HbI of Lucina pectinata"
(2016) Boubeta, F.M.; Bari, S.E.; Estrin, D.A.; Boechi, L. Journal of Physical Chemistry B. 120(36):9642-9653
"A view of Large Magellanic Cloud HII regions N159, N132, and N166 through the 345-GHz window"
(2016) Paron, S.;Ortega, M.E.;Fariña, C. (
...
)Rubio, M. Monthly Notices of the Royal Astronomical Society. 455(1):518-525
"Exploring the Slow Relaxation of the Magnetization in CoIII-Decorated {DyIII2} Units"
(2016) Funes, A.V.; Carrella, L.; Rentschler, E.; Alborés, P. Chemistry - A European Journal. 22(40):14308-14318
"Communication: Isotopic effects on tunneling motions in the water trimer"
(2016) Videla, P.E.; Rossky, P.J.; Laria, D. Journal of Chemical Physics. 144(6)
"Two-Photon Excitation of a Plasmonic Nanoswitch Monitored by Single-Molecule Fluorescence Microscopy"
(2016) Impellizzeri, S.;Simoncelli, S.;Hodgson, G.K. (
...
)Scaiano, J.C. Chemistry - A European Journal. 22(21):7281-7287
"Report on the sixth blind test of organic crystal structure prediction methods"
(2016) Reilly, A.M.;Cooper, R.I.;Adjiman, C.S. (
...
)Groom, C.R. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 72(4):439-459
"Modelling of an Atmospheric Pressure Nitrogen Glow Discharge Operating in High-Gas Temperature Regimes"
(2016) Prevosto, L.; Kelly, H.; Mancinelli, B. Plasma Chemistry and Plasma Processing. 36(4):973-992
"Sodium Caseinate/Sunflower Oil Emulsion-Based Gels for Structuring Food"
(2016) Montes de Oca-Ávalos, J.M.; Huck-Iriart, C.; Candal, R.J.; Herrera, M.L. Food and Bioprocess Technology. 9(6):981-992
"Computational study of basis set and electron correlation effects on anapole magnetizabilities of chiral molecules"
(2016) Zarycz, N.;Provasi, P.F.;Pagola, G.I. (
...
)Lazzeretti, P. Journal of Computational Chemistry. 37(17):1552-1558
"Two rhodamine 6G derivative compounds: A structural and fluorescence single-crystal study"
(2016) Di Paolo, M.; Bossi, M.L.; Baggio, R.; Suarez, S.A. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 72:684-692
"Mapping the protein-binding sites for iridium(III)-based CO-releasing molecules"
(2016) Caterino, M.;Petruk, A.A.;Vergara, A. (
...
)Merlino, A. Dalton Transactions. 45(30):12206-12214
"Sturmian approach to single photoionization of many electron atoms and molecules"
(2015) Granados-Castro, C.M.;Ancarani, L.U.;Gasaneo, G. (
...
)Ancarani L.U. International Conference on Many Particle Spectroscopy of Atoms, Molecules, Clusters and Surfaces, MPS 2014. 601(1)
"Oxalic acid at the TiO
2
/water interface under UV(A) illumination: Surface reaction mechanisms"
(2015) Mendive, C.B.;Bredow, T.;Schneider, J. (
...
)Bahnemann, D. Journal of Catalysis. 322:60-72
"Entrance dynamics of CH
4
molecules through a methane-water interface"
(2015) Murina, E.L.; Pastorino, C.; Fernández-Prini, R. Chemical Physics Letters. 637:13-17
"A temperature-induced order-disorder phase transition in a 4-substituted 4,2′:6′,4′′-terpyridine"
(2015) Granifo, J.;Westermeyer, M.;Riquelme, M. (
...
)Baggio, R. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 71:805-813
"Chemical two-photon fluorescence"
(2015) Carrone, G.; Etchenique, R. Analytical Chemistry. 87(8):4363-4369
"Fundamentals of NCAM Expression, Function, and Regulation of Alternative Splicing in Neuronal Differentiation"
(2015) Fiszbein, A.; Schor, I.E.; Kornblihtt, A.R. Neural Surface Antigens: From Basic Biology Towards Biomedical Applications:131-140
"Argonization method to deal with inelastic processes in SiH4, PH3 and SH2 by impact of protons"
(2015) Miraglia, J.E.;Montanari, C.C.;Martin F. (
...
)Mendez L. 29th International Conference on Photonic, Electronic and Atomic Collisions, ICPEAC 2015. 635(3)
"Förster resonance energy transfer mediated enhancement of the fluorescence lifetime of organic fluorophores to the millisecond range by coupling to Mn-doped CdS/ZnS quantum dots"
(2015) Kaiser, U.;Sabir, N.;Carrillo-Carrion, C. (
...
)Parak, W.J. Nanotechnology. 27(5)
"Theoretical prediction of the optical rotation of chiral molecules in ordered media: A computational study of (R
a
)-1,3-dimethylallene, (2R)-2-methyloxirane, and (2R)-N-methyloxaziridine"
(2015) Caputo, M.C.; Pelloni, S.; Lazzeretti, P. International Journal of Quantum Chemistry. 115(14):900-906
"Photobleaching effect in azo-dye containing epoxy resin films: The potentiality of carbon nanotubes as azo-dye dispensers"
(2015) Costanzo, G.D.;Goyanes, S.;Ledesma, S. (
...
)Salgueiro J.R. 23rd Congress of the International Commission for Optics: Enlightening the Future, ICO 2014. 605(1)
"Isotopic Preferential Solvation of I- in Low-Temperature Water Nanoclusters"
(2015) Videla, P.E.; Rossky, P.J.; Laria, D. Journal of Physical Chemistry B. 119(35):11783-11790
"Generalized Sturmian Functions applied to double continuum problems"
(2015) Ambrosio, M.J.;Colavecchia, F.D.;Mitnik, D.M. (
...
)Ancarani L.U. International Conference on Many Particle Spectroscopy of Atoms, Molecules, Clusters and Surfaces, MPS 2014. 601(1)
"Sturmian approach to study photoionization of molecules"
(2015) Granados-Castro, C.M.;Ancarani, L.U.;Assfeld, X. (
...
)Martin F. 29th International Conference on Photonic, Electronic and Atomic Collisions, ICPEAC 2015. 635(11)
"Confined gold nanoparticles enhance the detection of small molecules in label-free impedance aptasensors"
(2015) Peinetti, A.S.;Ceretti, H.;Mizrahi, M. (
...
)Battaglini, F. Nanoscale. 7(17):7763-7769
"The topotactic dehydration of monoclinic {[Co(pht)(bpy)(H2O)2]·2H2O}n into orthorhombic [Co(pht)(bpy)(H2O)2]n (pht is phthalate and bpy is 4,4′-bipyridine)"
(2014) Harvey, M.A.; Suarez, S.; Cukiernik, F.D.; Baggio, R. Acta Crystallographica Section C: Structural Chemistry. 70:978-982
"The structure of {[Co(pht)(bpy)(H2O)] 3H2O} n (pht is phthalate and bpy is 4,4'-bipyridine) and the role of solvent water clusters in structure stability"
(2014) Harvey, M.A.;Suarez, S.;Doctorovich, F. (
...
)Baggio, R. Acta Crystallographica Section C: Structural Chemistry. 70(5):440-444
"Alkoxy-benzoic acids: Some lacking structures and rationalization of the molecular features governing their crystalline architectures"
(2014) Raffo, P.A.;Rossi, L.;Alborés, P. (
...
)Cukiernik, F.D. Journal of Molecular Structure. 1070(1):86-93
"Stopping and ionization cross sections of CH4 and OH2 by impact of protons:use of one-center orbital method"
(2014) Montanari, C.C.; Miraglia, J.E. 28th International Conference on Photonic, Electronic and Atomic Collisions, ICPEAC 2013. 488(SECTION 10)
"Monte carlo-quantum mechanics study of magnetic properties of hydrogen peroxide in liquid water"
(2014) Caputo, M.C.;Provasi, P.F.;Benitez, L. (
...
)Coutinho, K. Journal of Physical Chemistry A. 118(32):6239-6247
"Influence of the glass transition on rotational dynamics of dyes in thin polymer films: Single-molecule and ensemble experiments"
(2014) Araoz, B.;Carattino, A.;Tauber, D. (
...
)Aramendia, P.F. Journal of Physical Chemistry A. 118(45):10309-10317
"Neonization method for stopping, mean excitation energy, straggling, and for total and differential ionization cross sections of CH4, NH3, H2O and FH by impact of heavy projectiles"
(2014) Montanari, C.C.; Miraglia, J.E. Journal of Physics B: Atomic, Molecular and Optical Physics. 47(1)
"On the transferability of atomic contributions to the optical rotatory power of hydrogen peroxide, methyl hydroperoxide and dimethyl peroxide"
(2014) Sánchez, M.;Alkorta, I.;Elguero, J. (
...
)Sauer, S.P.A. Molecular Physics. 112(12):1624-1632
"Magnetizabilities of diatomic and linear triatomic molecules in a time-independent nonuniform magnetic field"
(2014) Provasi, P.F.;Pagola, G.I.;Ferraro, M.B. (
...
)Lazzeretti, P. Journal of Physical Chemistry A. 118(33):6333-6342
"Electron dynamics in complex environments with real-time time dependent density functional theory in a QM-MM framework"
(2014) Morzan, U.N.;Ramírez, F.F.;Oviedo, M.B. (
...
)Lebrero, M.C.G. Journal of Chemical Physics. 140(16)
"Controlled reduction of photobleaching in DNA origami-gold nanoparticle hybrids"
(2014) Pellegrotti, J.V.;Acuna, G.P.;Puchkova, A. (
...
)Tinnefeld, P. Nano Letters. 14(5):2831-2836
"Gas phase structure and reactivity of doubly charged microhydrated calcium(II)-catechol complexes probed by infrared spectroscopy"
(2014) Butler, M.; Mañez, P.A.; Cabrera, G.M.; Maître, P. Journal of Physical Chemistry A. 118(27):4942-4954
"Silver nanoparticle-mesoporous oxide nanocomposite thin films: A platform for spatially homogeneous SERS-active substrates with enhanced stability"
(2014) Wolosiuk, A.;Tognalli, N.G.;Martínez, E.D. (
...
)Soler-Illia, G.J.A.A. ACS Applied Materials and Interfaces. 6(7):5263-5272
"Synthesis, acid properties and catalysis by niobium oxide nanostructured materials"
(2014) Luisa Marin, M.;Hallett-Tapley, G.L.;Impellizzeri, S. (
...
)Scaiano, J.C. Catalysis Science and Technology. 4(9):3044-3052
"Hyperactivation of the human plasma membrane Ca2+ pump PMCA h4xb by mutation of Glu99 to Lys"
(2014) Mazzitelli, L.R.; Adamo, H.P. Journal of Biological Chemistry. 289(15):10761-10768
"Ligand uptake modulation by internal water molecules and hydrophobic cavities in hemoglobins"
(2014) Bustamante, J.P.;Abbruzzetti, S.;Marcelli, A. (
...
)Viappiani, C. Journal of Physical Chemistry B. 118(5):1234-1245
"Mapping the fluorescence performance of a photochromic-fluorescent system coupled with gold nanoparticles at the single-molecule-single-particle level"
(2014) Simoncelli, S.;Roberti, M.J.;Araoz, B. (
...
)Aramendía, P.F. Journal of the American Chemical Society. 136(19):6878-6880
"Tetraaqua(4,4'-dimethyl-2,2'-bipyridine-κ2 N,N')nickel(II) sulfate monohydrate: A simple molecule with an extremely complex hydrogen-bonding scheme"
(2013) Suarez, S.; Doctorovich, F.; Harvey, M.A.; Baggio, R. Acta Crystallographica Section C: Crystal Structure Communications. 69(4):351-355
"Pb(II) binding to humic substances: An equilibrium and spectroscopic study"
(2013) Orsetti, S.; Marco-Brown, J.L.; Andrade, E.M.; Molina, F.V. Environmental Science and Technology. 47(15):8325-8333
"From free to effective diffusion coefficients in fluorescence correlation spectroscopy experiments"
(2013) Ipiña, E.P.; Dawson, S.P. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 87(2)
"A bright-rimmed cloud sculpted by the H ii region Sh2-48"
(2013) Ortega, M.E.;Paron, S.;Giacani, E. (
...
)Dubner, G. Astronomy and Astrophysics. 556
"Cholesterol modulates the fusogenic activity of a membranotropic domain of the FIV glycoprotein gp36"
(2013) Vitiello, G.;Fragneto, G.;Petruk, A.A. (
...
)D'Errico, G. Soft Matter. 9(28):6442-6456
"On the origin independence of the Verdet tensor†"
(2013) Caputo, M.C.; Coriani, S.; Pelloni, S.; Lazzeretti, P. Molecular Physics. 111(9-11):1405-1413
"Detecting repetitions and periodicities in proteins by tiling the structural space"
(2013) Parra, R.G.;Espada, R.;Sánchez, I.E. (
...
)Ferreiro, D.U. Journal of Physical Chemistry B. 117(42):12887-12897
"Ruthenium polypyridyl phototriggers: From beginnings to perspectives"
(2013) Zayat, L.; Filevich, O.; Baraldo, L.M.; Etchenique, R. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences. 371(1995)
"Formation, characterization and electrocatalytic activity of layer-by-layer self-assembled films containing polyoxomolybdate over Au surfaces"
(2012) Völker, E.; Calvo, E.J.; Williams, F.J. Journal of Electroanalytical Chemistry. 673:1-7
"Distance dependence of single-fluorophore quenching by gold nanoparticles studied on DNA origami"
(2012) Acuna, G.P.;Bucher, M.;Stein, I.H. (
...
)Tinnefeld, P. ACS Nano. 6(4):3189-3195
"Excess protons in water-acetone mixtures"
(2012) Semino, R.; Laria, D. Journal of Chemical Physics. 136(19)
"Multiple-scattering phase distortion in the ionization of molecules"
(2012) Altszyler, E.; Barrachina, R.O.; Chesnel, J.-Y.; Fremont, F. 27th International Conference on Photonic, Electronic and Atomic Collisions, ICPEAC 2011. 388(PART 10)
"Study of the luminous blue variable star candidate G26.47+0.02 and its environment"
(2012) Paron, S.; Combi, J.A.; Petriella, A.; Giacani, E. Astronomy and Astrophysics. 543
"The molecular gas around the luminous blue variable star G24.73+0.69"
(2012) Petriella, A.; Paron, S.A.; Giacani, E.B. Astronomy and Astrophysics. 538
"Detection of low quantum yield fluorophores and improved imaging times using metallic nanoparticles"
(2012) Estrada, L.C.;Roberti, M.J.;Simoncelli, S. (
...
)Martínez, O.E. Journal of Physical Chemistry B. 116(7):2306-2313
"Excess protons in mesoscopic water-acetone nanoclusters"
(2012) Semino, R.; Martí, J.; Guàrdia, E.; Laria, D. Journal of Chemical Physics. 137(19)
"Nuclear magnetic resonance J coupling constant polarizabilities of hydrogen peroxide: A basis set and correlation study"
(2012) Kjær, H.;Nielsen, M.R.;Pagola, G.I. (
...
)Sauer, S.P.A. Journal of Computational Chemistry. 33(23):1845-1853
"Interconversion study in 1,4-substituted six-membered cyclohexane-type rings. structure and dynamics of trans -1,4-dibromo-1,4-dicyanocyclohexane"
(2011) Bain, A.D.;Baron, M.;Burger, S.K. (
...
)Rodríguez, M.B. Journal of Physical Chemistry A. 115(33):9207-9216
"NMR nuclear magnetic shielding anisotropy of linear molecules within the linear response within the elimination of the small component approach"
(2011) Ruiz De Aza, M.C.; Giribet, C.G.; Melo, J.I. Journal of Chemical Physics. 134(3)
"Self-assembled monolayers of disulfide Cu porphyrins on au surfaces: Adsorption induced reduction and demetalation"
(2011) Verónica Rivas, M.;Méndez De Leo, L.P.;Hamer, M. (
...
)Williams, F.J. Langmuir. 27(17):10714-10721
"Geometry distortion of the benzene molecule in a strong magnetic field"
(2011) Caputo, M.C.; Lazzeretti, P. International Journal of Quantum Chemistry. 111(4):772-779
"Structure of supercooled water in clusters and bulk and its relation to the two-state picture of water: Results from the TIP4P-ice model"
(2011) Gelman Constantin, J.;Rodriguez Fris, A.;Appignanesi, G. (
...
)Corti, H. European Physical Journal E. 34(11)
"Coherent control of a single molecule"
(2010) Brinks, D.;Stefani, F.D.;Kulzer, F. (
...
)Hulst, N.F.V. International Conference on Ultrafast Phenomena, UP 2010
"Glyphosate adsorption on montmorillonite: An experimental and theoretical study of surface complexes"
(2010) Khoury, G.A.;Gehris, T.C.;Tribe, L. (
...
)dos Santos Afonso, M. Applied Clay Science. 50(2):167-175
"Electrochemical scanning tunneling spectroscopy of redox-active molecules bound by Au-C bonds"
(2010) Ricci, A.M.; Calvo, E.J.; Martin, S.; Nichols, R.J. Journal of the American Chemical Society. 132(8):2494-2495
"Specific intermolecular interactions of conserved water molecules with amino acids in the Galectin-1 carbohydrate recognition domain"
(2010) Di Lella, S.; Petruk, A.A.; De Armiño, D.J.A.; Álvarez, R.M.S. Journal of Molecular Structure. 978(1-3):220-228
"A multiwavelength study of the star forming region IRAS 18544+0112"
(2010) Ortega, M.E.;Paron, S.;Cichowolski, S. (
...
)Dubner, G. Astronomy and Astrophysics. 510(1)
"X-Y sample scanning stage and calibration method suitable for single-molecule detection"
(2010) Treegate, K.; Rasamessard, A.; Osotchan, T.; Hodak, J.H. Sensors and Actuators, B: Chemical. 150(1):239-246
"Encapsulation of cinnamon and thyme essential oils components (cinnamaldehyde and thymol) in β-cyclodextrin: Effect of interactions with water on complex stability"
(2010) Ponce Cevallos, P.A.; Buera, M.P.; Elizalde, B.E. Journal of Food Engineering. 99(1):70-75
"Role of the charge-transfer state in the electronic absorption of protonated hydrocarbon molecules"
(2010) Alata, I.;Dedonder, C.;Broquier, M. (
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)Jouvet, C. Journal of the American Chemical Society. 132(49):17483-17489
"NMR chemical shielding and spin-spin coupling constants of liquid NH 3: A systematic investigation using the sequential QM/MM method"
(2009) Gester, R.M.;Georg, H.C.;Canuto, S. (
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)Provasi, P.F. Journal of Physical Chemistry A. 113(52):14936-14942
"Crystal structure prediction of flexible molecules using parallel genetic algorithms with a standard force field"
(2009) Seonah, K.; Orendt, A.M.; Ferraro, M.B.; Facelli, J.C. Journal of Computational Chemistry. 30(13):1973-1985
"Carbohydrate-binding proteins: Dissecting ligand structures through solvent environment occupancy"
(2009) Gauto, D.F.;Di Lella, S.;Guardia, C.M.A. (
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)Martí, M.A. Journal of Physical Chemistry B. 113(25):8717-8724
"Significant progress in predicting the crystal structures of small organic molecules - A report on the fourth blind test"
(2009) Day, G.M.;Cooper, T.G.;Cruz-Cabeza, A.J. (
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)Schweizer, B. Acta Crystallographica Section B: Structural Science. 65(2):107-125
"Molecular orientation in self-assembled multilayers measured by Second Harmonic generation using femtosecond pulses"
(2009) Von Bilderling, C.; Tagliazucchi, M.; Calvo, E.J.; Bragas, A.V. Optics Express. 17(13):10642-10647
"Interplay of multivalency and optical properties of quantum dots: Implications for sensing and actuation in living cells"
(2009) Menéndez, G.;Roberti, M.J.;Sigot, V. (
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)Erijman, J.E.A. Colloidal Quantum Dots for Biomedical Applications IV. 7189
"Influence of the temporal fluctuations phenomena on the ECB LCoS performance"
(2009) Lizana, A.;Moreno, I.;Márquez, A. (
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)Yzuel, M.J. Optics and Photonics for Information Processing III. 7442
"Adsorption and reduction of palladium-dimethylglyoxime complex"
(2009) Ramírez, S.A.; Gordillo, G.J. Journal of Electroanalytical Chemistry. 629(1-2):147-151
"Topological phase transition in a RNA model in the de Gennes regime"
(2009) Dell'Erba, M.G.; Zemba, G.R. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 80(4)
"Ionization of the H2O molecule by intense ultrashort laser pulses"
(2009) Borbély, S.;Tökési, K.;Nagy, L. (
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)Gorczyca T.W. 26th International Conference on Photonic, Electronic and Atomic Collisions. 194(3)
"Thermodynamics of a model for RNA folding"
(2009) Dell'Erba, M.G.; Zemba, G.R. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 79(1)
"Discovery of a dense molecular cloud towards a young massive embedded star in 30 Doradus"
(2009) Rubio, M.; Paron, S.; Dubner, G. Astronomy and Astrophysics. 505(1):177-181
"Modeling the effects of molecule distortion on the Kondo resonance in the conductance of CoPc/Au(111) and TBrPP-Co/Cu(111)"
(2009) Aguiar-Hualde, J.M.;Chiappe, G.;Louis, E. (
...
)Simonin, J. Physica Status Solidi (A) Applications and Materials Science. 206(10):2217-2227
"A molecular outflow revealing star formation activity in the vicinity of the HII region G034.8-0.7 and the SNR W44"
(2009) Paron, S.; Ortega, M.E.; Rubio, M.; Dubner, G. Astronomy and Astrophysics. 498(2):445-453
"Polar mixtures under nanoconfinement"
(2009) Rodriguez, J.; Elola, M.D.; Laria, D. Journal of Physical Chemistry B. 113(38):12744-12749
"A molecular theory of chemically modified electrodes with self-assembled redox polyelectrolye thin films: Reversible cyclic voltammetry"
(2008) Tagliazucchi, M.; Calvo, E.J.; Szleifer, I. Electrochimica Acta. 53(23):6740-6752
"Confinement of polar solvents within β-cyclodextrins"
(2008) Rodriguez, J.; Rico, D.H.; Domenianni, L.; Laria, D. Journal of Physical Chemistry B. 112(25):7522-7529
"Evaluation of the molecular polarizability using the IPPP-CLOPPA-INDO/S method. Application to molecules of biological interest"
(2008) Botek, E.;Giribet, C.;De Azua, M.R. (
...
)Bernik, D. Journal of Physical Chemistry A. 112(30):6992-6998
"Thermodynamic and dynamic characteristics of hydroxypropylmethylcellulose adsorbed films at the air-water interface"
(2006) Pérez, O.E.; Sánchez, C.C.; Rodríguez Patino, J.M.; Pilosof, A.M.R. Biomacromolecules. 7(1):388-393
"Thermodynamic and dynamic characteristics of hydroxypropylmethylcellulose adsorbed films at the air-water interface"
(2006) Pérez, O.E.; Sánchez, C.C.; Rodríguez Patino, J.M.; Pilosof, A.M.R. Biomacromolecules. 7(1):388-393
"Sum rules for invariance of the fourth-rank hypermagnetisability in a gauge translation"
(2005) Pagola, G.I.; Caputo, M.C.; Ferraro, M.B.; Lazzeretti, P. Chemical Physics Letters. 408(4-6):403-408
"Aminomethylphosphonic acid and glyphosate adsorption onto goethite: A comparative study"
(2005) Barja, B.C.; Dos Santos Afonso, M. Environmental Science and Technology. 39(2):585-592
"Electron-density topology in molecular systems: Paired and unpaired densities"
(2005) Lobayan, R.M.; Bochicchio, R.C.; Lain, L.; Torre, A. Journal of Chemical Physics. 123(14)
"A study of the partitioning of the first-order reduced density matrix according to the theory of atoms in molecules"
(2005) Alcoba, D.R.; Lain, L.; Torre, A.; Bochicchio, R.C. Journal of Chemical Physics. 123(14)
"Homoclinic motions in the vibrational spectra of floppy systems: The LiCN molecule"
(2005) Borondo, F.;Vergini, E.;Wisniacki, D.A. (
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)Benito, R.M. Journal of Chemical Physics. 122(11)
"Calculation of the fourth-rank molecular hypermagnetizability of some small molecules"
(2004) Pagola, G.I.; Caputo, M.C.; Ferraro, M.B.; Lazzeretti, P. Journal of Chemical Physics. 120(20):9556-9560
"Specific antibody - DNA interaction: A novel strategy for fight dna recognition"
(2003) Di Pietro, S.M.;Centeno, J.M.;Cerutti, M.L. (
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)De Prat-Gay, G. Biochemistry. 42(20):6218-6227
"A theoretical-experimental study of Wells-Dawson acid. An explanation of their catalytic activity"
(2003) Sambeth, J.E.; Baronetti, G.T.; Thomas, H.J. Journal of Molecular Catalysis A: Chemical. 191(1):35-43
"Di-μ-trans-2-butenoato-κ3O,O,O′-di-μ-trans-2- butenoato-κ2O,O′-bis[(trans-2-butenoato- κ2O,O′)(1,10-phenanthroline-κ2N, N′)dysprosium(III)] dihydrate"
(2003) Baggio, R.; Perec, M.; Garland, M.T. Acta Crystallographica Section E: Structure Reports Online. 59(12):m1121-m1123
"Stereoelectronic interactions and molecular properties. An NBO-based study of uracil"
(2003) Sproviero, E.M.; Burton, G. Journal of Physical Chemistry A. 107(29):5544-5554
"Study of local density enhancement in near-critical solutions of attractive solutes using hydrostatic hypernetted chain theory"
(2002) Fernández-Prini, R. Journal of Physical Chemistry B. 106(12):3217-3225
"How does light scattering affect luminescence? Fluorescence spectra and quantum yields in the solid phase"
(2002) Lagorio, M.G.; San Román, E. Journal of Chemical Education. 79(11):1362-1367
"Path integral-molecular dynamics study of electronic states in supercritical water"
(2002) Laria, D.; Skaf, M.S. Journal of Physical Chemistry A. 106(35):8066-8069
"Two-dimensional fluid model for the inter-electrode region of a non-filtered vacuum arc"
(2002) Minotti, F.O.; Kelly, H.; Lepone, A. Plasma Sources Science and Technology. 11(3):294-300
"Dynamical aspects of isomerization and melting transitions in [H2O]8"
(2001) Laria, D.; Rodriguez, J.; Dellago, C.; Chandler, D. Journal of Physical Chemistry A. 105(12):2646-2651
"Spatial density profiles of metallic ions with different charge states from a vacuum arc operated with background gas"
(2001) Lepone, A.; Kelly, H. Journal of Physics D: Applied Physics. 34(20):3043-3050
"3He impurity in a Bose-Einstein condensate"
(2000) Capuzzi, P.; Hernández, E.S.; Barranco, M. Physical Review A - Atomic, Molecular, and Optical Physics. 62(2):023603-023601
"Characterization of edge effects in twisted nematic liquid crystal displays"
(2000) Márquez, A.;Campos, J.;Yzuel, M.J. (
...
)Robert, A. Optical Engineering. 39(12):3301-3307
"Pair population analysis within AIM theory"
(2000) Bochicchio, R.; Ponec, R.; Lain, L.; Torre, A. Journal of Physical Chemistry A. 104(40):9130-9135
"Phenomenological description of strain rate and temperature‐dependent yield stress of PMMA"
(1995) Povolo, F.; Hermida, É.B. Journal of Applied Polymer Science. 58(1):55-68
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