Search Results - "calculations"

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  1. 1
    Defect properties of albite: a combined empirical potential and density functional theory study

    Defect properties of albite: a combined empirical potential and density functional theory study by Lowitzer, S., Wilson, D., Winkler, B., Milman, V., Gale, Julian

    Published 2008
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  2. 2
    Ab initio study of electronic structures of BaMoO4 crystals containing an interstitial oxygen atom

    Ab initio study of electronic structures of BaMoO4 crystals containing an interstitial oxygen atom by Zhao, H., Zhang, Feiwu, Guo, X., Zhang, Q., Liu, T.

    Published 2010
    Subjects: “…Abinitio calculations…”
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  3. 3
    A new Quarter Sweep Arithmetic Mean (QSAM) method to solve diffusion equations

    A new Quarter Sweep Arithmetic Mean (QSAM) method to solve diffusion equations by Sulaiman, J., Othman, Mohamed, Hasan, M.K.

    Published 2009
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  4. 4
    Pembelajaran Analisis Berangka dalam Talian

    Pembelajaran Analisis Berangka dalam Talian by Senu, Norazak

    Published 2001
    Subjects: “…Numerical calculations - Computer programs…”
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    Get full text
  5. 5
    Numerical Simulation of Cyclone Efficiency and Pressure Drop

    Numerical Simulation of Cyclone Efficiency and Pressure Drop by Gimbun, Jolius

    Published 2004
    Subjects: “…Cyclone forecasting - Numerical calculations - Case studies…”
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    Get full text
  6. 6
    Accelerated protein synthesis via one–pot ligation–deselenization chemistry

    Accelerated protein synthesis via one–pot ligation–deselenization chemistry by Mitchell, Nicholas J., Sayers, Jessica, Kulkarni, Sameer S., Clayton, Daniel, Goldys, Anna M., Ripoll-Rozada, Jorge, Barbosa Pereira, Pedro José, Chan, Bun, Radom, Leo, Payne, Richard J.

    Published 2017
    Subjects: “…peptide synthesis; selenium; proteins; quantum chemistry calculations…”
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  7. 7
    Static lattice energy calculations of mixing and ordering enthalpy in binary carbonate solid solutions

    Static lattice energy calculations of mixing and ordering enthalpy in binary carbonate solid solutions by Vinograd, V., Winkler, B., Putnis, A., Gale, Julian, Sluiter, M.

    Published 2006
    Subjects: “…Static lattice energy calculations…”
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    Get full text
  8. 8
    Triamidoamine-uranium(IV)-stabilized terminal parent phosphide and phosphinidene complexes

    Triamidoamine-uranium(IV)-stabilized terminal parent phosphide and phosphinidene complexes by Gardner, Benedict M., Balázs, Gábor, Scheer, Manfred, Tuna, Floriana, McInnes, Eric J.L., McMaster, Jonathan, Lewis, William, Blake, Alexander J., Liddle, Stephen T.

    Published 2014
    Subjects: “…density functional calculations; multiple bonds; phosphides; phosphinidene; uranium…”
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  9. 9
    The presence of mathematics and computer anxiety in nursing students and their effects on medication dosage calculations

    The presence of mathematics and computer anxiety in nursing students and their effects on medication dosage calculations by Glaister, Karen

    Published 2007
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  10. 10
    Aminoxyl Radicals on the Silicon (001) Surface

    Aminoxyl Radicals on the Silicon (001) Surface by Bennett, J., Warschkow, O., Marks, Nigel

    Published 2009
    Subjects: “…Density functional calculations…”
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  11. 11
    Crystal structure of anhydrous potassium O-n-propyldithiocarbonate. Theoretical calculations of O-alkyl dithiocarbonates

    Crystal structure of anhydrous potassium O-n-propyldithiocarbonate. Theoretical calculations of O-alkyl dithiocarbonates by Buntine, Mark, Cox, M., Lim, Y., Yap, T., Tiekink, E.

    Published 2003
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  12. 12
    Implementation of a Z-matrix approach within the SIESTA periodic boudnary conditions code and its application to surface adsorption

    Implementation of a Z-matrix approach within the SIESTA periodic boudnary conditions code and its application to surface adsorption by Hoft, R., Gale, Julian, Ford, M.

    Published 2006
    Subjects: “…Electronic structure calculations…”
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    Get full text
  13. 13
    Toward an accurate ab initio estimation of compressibility and thermal expansion of diamond in the [0, 3000 K] temperature and [0, 30 GPa] pressures ranges, at the hybrid HF/DFT theoretical level

    Toward an accurate ab initio estimation of compressibility and thermal expansion of diamond in the [0, 3000 K] temperature and [0, 30 GPa] pressures ranges, at the hybrid HF/DFT th... by Prencipe, M., Bruno, M., Nestola, F., De La Pierre, Marco, Nimis, P.

    Published 2014
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  14. 14
    Calculated ionization potentials of the linear alkanes

    Calculated ionization potentials of the linear alkanes by Brailsford, David F., Ford, Brian

    Published 1970
    Subjects: “…equivalent orbital calculations…”
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  15. 15
    A monomeric, heterobimetallic complex with an unsupported Mg−Fe bond

    A monomeric, heterobimetallic complex with an unsupported Mg−Fe bond by Birchall, Christopher, Moxey, Graeme J., McMaster, Jonathan, Blake, Alexander J., Lewis, William, Kays, Deborah L.

    Published 2017
    Subjects: “…Magnesium; Iron; Metal-metal interactions; N ligands; Density functional calculations…”
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  16. 16
    Effect of the substitution position (2, 3 or 8) on the spectroscopic and photophysical properties of BODIPY dyes with a phenyl, styryl or phenylethynyl group

    Effect of the substitution position (2, 3 or 8) on the spectroscopic and photophysical properties of BODIPY dyes with a phenyl, styryl or phenylethynyl group by Orte, Angel, Debroye, Elke, Ruedas-Rama, Maria J., Garcia-Fernandez, Emilio, Robinson, David, Crovetto, Luis, Talavera, Eva M., Alvarez-Pez, Jose M., Leen, Volker, Verbelen, Bram, Dias de Rezende, Lucas Cunha, Dehaen, Wim, Hofkens, Johan, Van der Auweraer, Mark, Boens, Noël

    Published 2016
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  17. 17
    The interstellar gas-phase formation of CO2 - Assisted or not by water molecules?

    The interstellar gas-phase formation of CO2 - Assisted or not by water molecules? by Rohl, Andrew, Talbi, D., Chandler, G.

    Published 2006
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  18. 18
    Direct determination of absolute configuration: a vibrational circular dichroism study on dimethyl-substituted phenyloxiranes synthesized by Shi epoxidation

    Direct determination of absolute configuration: a vibrational circular dichroism study on dimethyl-substituted phenyloxiranes synthesized by Shi epoxidation by Fristrup, P., Lassen, P., Tanner, D., Jalkanen, Karl

    Published 2008
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  19. 19
    Keberkesanan Kaedah Pengiraan Menggunakan Teori Jari dalam Membantu Pencapaian Aritmatik Kanak-kanak berumur antara 6 - 12 Tahun

    Keberkesanan Kaedah Pengiraan Menggunakan Teori Jari dalam Membantu Pencapaian Aritmatik Kanak-kanak berumur antara 6 - 12 Tahun by Heah, Swee Ching

    Published 1997
    Subjects: “…Finger calculation…”
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    Get full text
  20. 20
    Thermal analysis on the pyrolysis of tetrabromobisphenol A (TBBPA) and Electric Arc Furnace Dust mixtures

    Thermal analysis on the pyrolysis of tetrabromobisphenol A (TBBPA) and Electric Arc Furnace Dust mixtures by Al-Harahsheh, Mohammad, Al-Otoom, Awni, Al-Jarrah, Muhannad, Altarawneh, Mohammednoor, Kingman, Sam

    Published 2017
    Subjects: Get full text

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