Search Results - "Partal, F"

Photoinduced Chiral Nematic Organization in an Achiral Glassy Nematic Azopolymer by Tejedor, R. M., Oriol, L., Serrano, J. L., Partal Ureña, F., López González, J. J.

“…A liquid crystalline homopolymer that has photoisomerizable methoxyazobenzene groups in the side chain has been synthesized and characterized. Thin films of…”
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Terpenes in the gas phase: The Far-IR spectrum of perillaldehyde by Huet, T.R., Aviles Moreno, J.-R., Pirali, O., Tudorie, M., Partal Ureña, F., Lopez Gonzalez, J.-J.

“…The far infrared spectrum of S-(-)-perillaldehyde, a monoterpene containing an aldehyde functional group, has been recorded in the gas phase using FTIR…”
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A new insight into the vibrational analysis of pyridine by Ureña, F.Partal, Gómez, M.Fernández, González, J.J.López, Torres, E.Martı́nez

“…A new proposal of vibrational assignment for pyridine is reported. Infrared spectra for the liquid and gas phases as well as Raman spectra for the liquid have…”
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Influence of Crumb Rubber Concentration on the Rheological Behavior of a Crumb Rubber Modified Bitumen by Navarro, F. J, Partal, P, Martínez-Boza, F, Gallegos, C

“…Bitumen is widely used in construction. Its applications go from binder for road asphalts to built-up roofing membranes and other waterproofing uses. The use…”
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Effect of the Silyl Substitution on Structure and Vibrational Spectra of Hydrogen-Bonded Networks in Dimers, Cyclic Trimers, and Tetramers by Ignatyev, Igor S, Partal, F, López González, J. J

“…Geometries of the hydrogen bound clusters (ROH) n (n = 1−4, R = H, CH3, and SiH3) are optimized at the B3LYP/DZP+diff level of theory. The reliability of the…”
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Vibrational spectra of trimethylsilanol: The problem of the assignment of the SiOH group frequencies by Ignatyev, Igor S, Partal, F, López González, J.J, Sundius, Tom

“…The assignment of the SiOH group vibrations of trimethylsilanol, which is still controversial, is proposed. This assignment is based on theoretical B3LYP force…”
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The vibrational spectra of (CH3)3SiX (S=H, F, Br) molecules, revisited Transferable scale factor sets for methylsilane derivatives by Montejo, M, Ureña, F Partal, Márquez, F, González, J J López

“…The joint experimental and theoretical study of the vibrational spectra of the molecular series (CH3)3SiX (with X=H, F and Br) is carried out. Data from newly…”
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Condensation reactions in silanol–water clusters by Ignatyev, Igor S, Partal, F, López González, J.J

“…Two types of complexes were found in the 2H 3SiOH+ nH 2O ( n=1,2) systems by B3LYP and MP2 methods. Global energy minima correspond to cyclic structures and…”
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Vibrational spectrum of chlorotrimethylsilane by Montejo, M., Partal Ureña, F., Márquez, F., Ignatyev, I.S., González, J.J. López

“…The IR and Raman spectra of chlorotrimethylsilane (CTMS) were re-examined. Gas and liquid phase spectra were newly recorded and the analysis of the second…”
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Anharmonic spectra of methanol and silanol: A comparative study by Partal Ureña, F., López González, J.J., Márquez, F.

“…Anharmonic vibrational spectra of methanol and silanol as well as of some of their deuterated isotopomers are analysed using the vibrational self-consistent…”
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Intramolecular hydrogen bonding in silanediols by Ignatyev, Igor S., Partal, F., González, J.J.López

“…The analysis of equilibrium geometries and energies of silanediols with NH 2 and carbonyl groups in their side chains shows that the intramolecular hydrogen…”
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The vibrational spectra of (CH 3) 3SiX (S = H, F, Br) molecules, revisited by Montejo, M., Ureña, F. Partal, Márquez, F., González, J.J. López

“…The joint experimental and theoretical study of the vibrational spectra of the molecular series (CH 3) 3SiX (with X = H, F and Br) is carried out. Data from…”
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Hydrogen bonding and structure of silanediol dimers and tetramers by Ignatyev, Igor S, Partal, Francisco, González, Juan J.López

“…A new structure of tetrameric silanediols, which was not characterized experimentally before, was predicted by the B3LYP method. It is a cage-like (S 4)…”
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Vibrational spectra of trimethylsilanol by Ignatyev, Igor S, Partal, F, López González, J.J, Sundius, Tom

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Structure and vibrational spectra of dimethylsilanediol and methylsilanetriol dimers by Ignatyev, I.S., Montejo, M., Ureña, F. Partal, González, J.J. López

“…Equilibrium geometries of methylsilanetriol monomer and dimers are obtained at B3LYP/DZP + diff level and differences in electron density distribution and in…”
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Vibrational analysis of the inelastic neutron scattering spectrum of pyridine by Partal, Francisco, Fernández-Gómez, Manuel, López-González, Juan J, Navarro, Amparo, Kearley, Gordon J

“…A vibrational analysis of the pyridine molecule has been performed by combining inelastic neutron scattering (INS) data and quantum mechanical calculations at…”
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Vibrational spectra and structure of methoxysilanes and products of their hydrolysis by Ignatyev, I.S., Montejo, M., Partal Ureña, F., Sundius, T., López González, J.J.

“…Equilibrium geometries and force fields for the series of molecules (MeO) n SiMe 4− n ( I), (OH) n SiMe 4− n ( II), and (MeO) n Si(OH) 4− n ( III) with n = 1–4…”
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Vibrational spectrum of methoxytrimethylsilane by Montejo, M., Partal Ureña, F., Márquez, F., Ignatyev, I.S., González, J.J. López

“…Gas and liquid phase infrared spectra and the liquid phase Raman spectrum of methoxytrimethylsilane (MTMS) have been newly recorded. Theoretical calculations…”
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Astrophysical Molecules AlD and CaH: Transition Probabilities and Dissociation Energy by Partal Ureña, F, Fernández Gómez, M, López González, Jj, Rajamanickam, N

“…The Franck-Condon (FC) factors and r-centroids for the bands systemC^sup 1^ Σ^sup +^ [arrow right] X^sup 1^ Σ^sup +^ of AlD and E^sup 2^ Π [arrow right] X^sup…”
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