140,558 research outputs found
Low Wavenumber Raman Bands (300-25 Cm-1) And Isotope Effects For Eight Isotopically Substituted Lithium Formate Monohydrates Lix′co2·x″2o
No full textThe Raman spectra of eight isotopically substituted lithium formate monohydrates, LiX′CO2·X″2O, were investigated in the wavenumber region from 300 to 25 cm-1. The observed spectral data were assigned to the X′CO- 2 and X″2O lattice modes and discussed taking the isotope effects on the fundamental bands into account. © 1981.374275278Cadene, (1970) C.R. Acad. Sci., 270, p. 909. , Ser. BKrishnan, Ramanujam, (1971) Ind. J. Pure Appl. Phys., 9, p. 910Galzerani, Srivastava, Katiyar, Porto, Temperature-dependent Raman study of H-bonds and possible phase-transition in LiHCOO·H2O (1977) Journal of Raman Spectroscopy, 6, p. 174Y. Hase, unpublished dataRao, Viswamitra, (1971) Ferroelectrics, 2, p. 209Enders-Beumer, Harkena, The crystal structure of lithium formate monohydrate (1973) Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, 29, p. 682. , Sect. BTellgren, Ramanujam, Liminga, Hydrogen bond studies 78. A neutron diffraction study of lithium formate monohydrate, LiHCOO·H2O (1974) Ferroelectrics, 6, p. 191Eriksson, Lindgren, (1978) J. Mol. Struct., 48, p. 417Tarte, (1964) Spectrochim. Acta, 20, p. 238Tarte, (1965) Spectrochim. Acta, 21, p. 313Funck, Jungermann, Klee, (1977) Spectrochim. Acta, 33 A, p. 473Jungermann, (1977) Spectrochim. Acta, 33 A, p. 725Hase, Yoshida, Low frequency bands of Li2CO3 crystal (1979) Spectrochimica Acta Part A: Molecular Spectroscopy, 35 A, p. 377Hase, (1980) Inorg. Nucl. Chem. Lett., 16, p. 159Y. Hase, Monatsh. Chem (in press)Y. Hase and I. V. P. Yoshida, Monatsh. Chem. (in press)Mass, The far infrared absorption spectrum and the assignment of the lattice modes of sodium formate (1977) Spectrochimica Acta Part A: Molecular Spectroscopy, 33 A, p. 761Mass, Kellendonk, The vibration spectrum and the assignment of the lattice modes of sodium formate. II (1979) Spectrochimica Acta Part A: Molecular Spectroscopy, 35 A, p. 8
Vibrational Spectra Of Zinc Halide Complexes With Trimethylphosphine Oxide
No full textThe Raman and IR spectra are reported for the complexes ZnCl2.2TMPO, ZnBr2.2TMPO and ZnI2.2TMPO. The observed frequencies for polycrystalline samples are assigned on the basis of a C3v structure for the TMPO ligand and a C2y structure for the ZnX2O2 skeletal fundamentals. To discuss the coordination effects of TMPO, the ligand vibrations are compared with those of free TMPO and the skeletal vibrations with those of acetonitrile complexes. Using the ratios of G matrix elements and of observed frequencies for symmetric and asymmetric Zn-X stretching modes, the ZnX2O2 skeletal structures are found to be tetrahedral. © 1978.502293298O.L. Alves, C.U. Davanzo, Y. Gushikem and Y. Hase, to be publishedAlves, Hase, (1978) Eclética Química, 3. , in pressHunter, Langford, Rodley, Wilkins, Infrared spectra (1200?200 cm.?1) of trimethylphosphine oxide and trimethylamine oxide metal complexes (1968) Journal of the Chemical Society A: Inorganic, Physical, Theoretical, p. 305Cotton, Barnes, Bannister, 442. The effect of complex-formation by phosphine oxides on their P?O stretching frequencies (1960) Journal of the Chemical Society (Resumed), p. 2199Rojhantalab, Nibler, Wilkins, (1976) Spectrochim. Acta Part A, 32, p. 519Hase, Airoldi, Gushikem, Kawano, Raman Spectra of Zn(CH3CN)2X2(X[dbnd]C1, Br and I) (1976) Spectroscopy Letters, 9, p. 105-Hase, Airoldi, Gushikem, Kawano, Raman Spectra of Zn(CD3(CN)2X2(X=C1, Br and I) (1976) Spectroscopy Letters, 9, p. 177Clark, Dunn, 222. The infrared spectra of some tetrahedral inorganic complex halides (1963) Journal of the Chemical Society (Resumed), p. 1198Delwaulle, (1955) Compt. Rend., 240, p. 213
Normal Coordinate Analysis Of The Optically Active Vibrational Modes Of Four Isotopically Substituted Crystalline Lithium Hydroxides
No full textCoordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)[No abstract available]56C297299CAPES; Coordenação de Aperfeiçoamento de Pessoal de Nível SuperiorCoordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)I. V. P. Yoshida and Y. Hase, Spectrosc. Lett., in pressY. Hase and I. V. P. Yoshida, Chem. Phys. Lett., in pressErnst, (1933) Z. Phys. Chem., 20, p. 65. , (Leipzig)Wilson, Decius, Cross, (1955) Molecular Vibrations, , McGraw-Hill, New YorkShimanouchi, Tsuboi, Miyazawa, (1961) J. Chem. Phys., 35, p. 1597Mann, Shimanouchi, Meal, Fano, (1957) J. Chem. Phys., 27, p. 43Harback, Fischer, Raman spectra of lithium hydroxide single crystals (1975) Journal of Physics and Chemistry of Solids, 36, p. 60
Aquí hase farta una mujé : comentarios a la bufonada lírica en un acto y en prosa, original de Carlos Miranda, música de los maestros Mas y Sala.
No full textEstrenada en la noche del 23 de Marzo de 1909.Parodia del sainete lírico de los Hermanos de la Cueva y del malogrado Maestro Chapí "Aquí hase farta un hombre
Accelerated direct semiclassical molecular dynamics using a compact finite difference Hessian scheme
No full textThis paper shows how a compact finite difference Hessian approximation scheme can be proficiently implemented into semiclassical initial value representation molecular dynamics. Effects of the approximation on the monodromy matrix calculation are tested by propagating initial sampling distributions to determine power spectra for analytic potential energy surfaces and for “on the fly” carbon
dioxide direct dynamics. With the approximation scheme the computational cost is significantly reduced,
making ab initio direct semiclassical dynamics computationally more feasible and, at the same time, properly reproducing important quantum effects inherent in the monodromy matrix and the pre-exponential factor of the semiclassical propagator
El rol económico del chamán y su hase conceptual entre los Kapones y Pemones septentrionales de las Guayanas
No full textEl rol económico del chamán y su hase conceptual entre los Kapones y Pemones septentrionales de las Guayana
The Raman Active Vibrational Modes And Isotopic Effects Of Four Isotopically Substituted Lithium Hydroxides
No full textThe Raman active vibrational fundamental modes of four isotopically substituted polycrystalline lithium hydroxides have been reported and the observed frequencies have been discussed in terms of the frequency ratios expected for the pure internal and lattice vibrations and the Teller-Redlich product rule. © 1979.6514649I.V.P. Yoshida and Y. Hase, Spectry. Letters, to be publishedRedlich, (1935) Z. Physik Chem. (Leipzig), 28 B, p. 371Teller, Angus, Bailey, Hale, Ingold, Leckie, Raisin, Wilson, (1936) J. Chem. Soc., p. 971. , quotedHarbach, Fischer, (1975) J. Phys. Chem. Solids, 36, p. 601Ernst, (1933) Z. Physik. Chem. (Leipzig), 20 B, p. 6
Low Frequency Bands Of Li2co3 Crystal
No full textThe i.r. and raman spectra below 300 cm-1 have been recorded for polycrystalline 6Li2CO3 and 7Li2CO3. No observed bands have shown the characteristic isotopic frequency shifts expected for the Li+ translations. The number of observed bands has been compared with that of the Co2- 3 translational and rotational modes by the factor group analysis. © 1979.354379Elfusa,Mineracao Jundu,NetzschZemann, Die Kristallstruktur von Li2CO3 (1957) Acta Crystallographica, 10, p. 664Tarte, (1964) Spectrochim. Acta, 20, p. 238Brooker, Bates, Raman and Infrared Spectral Studies of Anhydrous Li2CO3 and Na2CO3 (1971) The Journal of Chemical Physics, 54, p. 4788I.V.P. Yoshida and Y. Hase, unpublished dataHase, Yoshida, Low frequency bands of Li2CO3 crystal (1979) Spectrochimica Acta Part A: Molecular Spectroscopy, 35 A, p. 37
Theoretical Study Of The Coordination Effect: The Cn Bond Stretch Force Constants Of Hcnbf3 And Hcnbcl3
No full textA theoretical investigation of HCNBF3 and HCNBCl3 was undertaken with the aim of understanding the coordination effect of nitriles as the ligand in the CN bond stretching fundamental vibrations. The evaluated CN bond potential parameters given by the MNDO method suggest that the quadratic and cubic force constants are responsible for the characteristic high wavenumber shift of the CN stretching fundamentals and the apparent increase in the harmonic CN stretching force constant derived from the normal coordinate calculations. © 1987.151C223226Coever, Curran, Infrared Absorption by the C'N Bond in Addition Compounds of Nitriles with Some Inorganic Halides1 (1958) Journal of the American Chemical Society, 80, p. 3522Brown, Kubota, (1961) J. Am. Chem. Soc., 83, p. 4175Beattie, Gilson, 430. A normal co-ordinate analysis of MeCN, BX3, and its relevance to the thermodynamic stability of co-ordination compounds (1964) Journal of the Chemical Society (Resumed), p. 2292Walton, (1965) Q. Rev., 19, p. 126Purcell, Drago, (1966) J. Am. Chem. Soc., 88, p. 919Kawai, Kanesaka, (1969) Spectrochim. Acta, 25, p. 1265. , Part AKanesaka, Hase, Kawai, The Infrared Spectra of Addition Compounds of Hydrogen and Deuterium Cyanides with Boron Tribromide (1972) Bulletin of the Chemical Society of Japan, 45, p. 1595Dewar, Thiel, (1977) J. Am. Chem. Soc., 99, p. 4899Dewar, McKee, Rzepa, (1978) J. Am. Chem. Soc., 100, p. 3607Dewar, Rzepa, Ground states of molecules. 53.MNDO calculations for molecules containing chlorine (1983) Journal of Computational Chemistry, 4, p. 158Thiel, (1978) Quantum Chemistry Program Exchange, , Indiana University, Bloomington, IN, Program No. 353Wiberg, (1968) Tetrahedron, 24, p. 1083Suzuki, Pariseau, Overend, (1966) J. Chem. Phys., 44, p. 3561Nakagawa, Morino, Anharmonic Potential Constants and Vibrational and Rotational Parameters for Hydrogen Cyanide (1969) Bulletin of the Chemical Society of Japan, 42, p. 2212Strey, Mills, The anharmonic force field and equilibrium structure of HCN and HCP (1973) Molecular Physics, 26, p. 129Steele, Person, Brown, (1981) J. Phys. Chem., 85, p. 2007Allinger, Yuh, (1978) Quantum Chemistry Program Exchange, , Indiana University, Bloomington, IN, Program No. 39
Raman And Infrared Spectra And Normal Coordinate Analyses Of Zirconium And Hafnium Tetrachloride Complexes With Phosphoryl Chloride, Zrcl4·2pocl3 And Hfcl4·2pocl3
No full textThe vibrational Raman and i.r. spectra of 1:2 molecular complexes of ZrCl4 and HfCl4 with phosphoryl chloride have been recorded in the regions 4000-50 cm-1 and 4000-180 cm-1, respectively. The observed spectral data for powder samples have been analysed by comparison with those of related compounds and the resulting assignments have confirmed their octahedral cis-configurations with two non-equivalent POCl3 ligands. The normal coordinate calculations have been studied to obtain the Urey-Bradley force constants and the potential energy distribution. © 1981.3711957963Kawano, Gushikem, Hase, (1977) J. Mol. Struct., 36, p. 183Gushikem, Alves, Hase, Kawano, RAMAN SPECTRA OF ANTIMONY AND NIOBIUM PENTACHLORIDE COMPLEXES WITH PHOSPHORYL CHLORIDE (1977) Journal of Coordination Chemistry, 6, p. 179Kawano, Gushikem, Hase, VIBRATIONAL SPECTRA OF DIMER COMPLEX (TiCL4.POCL3)2 (1978) Journal of Coordination Chemistry, 7, p. 227Alves, Davanzo, Yoshida, Gushikem, Hase, (1978) An. Acad. brasil. Ciênc., 50, p. 71Hase, Gushikem, Kawano, (1978) An. Acad. brasil. Ciênc., 50, p. 137Hase, (1981) An. Acad. brasil. Ciênc., , to be publishedHase, Alves, (1981) Spectrochim. Acta, 37 A, p. 711Brändén, The Crystal Structure of SnCl4.2POCl3. (1963) Acta Chemica Scandinavica, 17, p. 759Brändén, Crystal Structure Data for the Compounds TaCl5.POCl3 and TiCl4.2POCl3. (1962) Acta Chemica Scandinavica, 16, p. 1806Voitovich, Barabanova, Klochkov, Sharkina, (1966) Ukr. Khim. Zh., 32, p. 167King, Nyquist, (1970) Spectrochim. Acta, 26 A, p. 4481Dillon, Waddington, (1972) J. Inorg. Nucl. Chem., 34, p. 1825Clark, Rippon, The vapour phase Raman spectra, Raman band contour analyses, Coriolis constants, force constants, and values for thermodynamic functions of the symmetric top molecules POF3, POCl3, VOF3, VOCl3, PSCl3and FClO3 (1974) Molecular Physics, 28, p. 305Filgueira, Blom, Müller, (1980) Spectrochim. Acta, 36 A, p. 745Sheldon, Tyree, (1958) J. Am. Chem. Soc., 80, p. 4775Graven, Peterson, (1969) J. Inorg. Nucl. Chem., 31, p. 1743Clark, Hunter, Rippon, (1972) Inorg. Chem., 11, p. 56Clark, Rippon, (1972) J. Mol. Spectrosc., 44, p. 479Adams, Newton, Vibrational spectra of halides and complex halides. Part VI. The ions [MCl6]2?, M = Ti, Zr, Hf (1968) Journal of the Chemical Society A: Inorganic, Physical, Theoretical, p. 2262Brown, McDugle, Jr., Kent, (1970) J. Am. Chem. Soc., 92, p. 3645Wilson, Jr., Decius, Cross, (1955) Molecular Vibrations, , McGraw-Hill, New YorkHase, (1980) Computer Programs for Normal Coordinate Calculations, , IQ-UNICAMP, Campinas, (NCA-08)Miyazawa, Force Constants, Normal Modes and Potential Energy Distribution of (1955) Nippon kagaku zassi, 76, p. 1132Mann, Shimanouchi, Meal, Fano, (1957) J. Chem. Phys., 27, p. 43Gutmann, (1968) Coordination Chemistry in Non-Aqueous Solutions, , Springer, New YorkNakagawa, (1975) Molecular Structure and Spectroscopy, , Kyoritsu, TokyoBronswyk, Clark, Maresca, Infrared spectra, laser Raman spectra, and force constants of the metal-hexahalo species R2MIVX6, RMVX6[R=tetraethylammonium or cesiumMIV=titanium, zirconium, or hafniumMV=niobium or tantalumchlorine or bromine], and tungsten hexachloride (1969) Inorganic Chemistry, 8, p. 139
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