Search Results

There are 68546 results for: content related to: Basis set dependence of ab-initio calculated vibration frequencies

  1. On the role of polarization functions in SCF calculations of glycine and related systems with intramolecular hydrogen bonding

    International Journal of Quantum Chemistry

    Volume 44, Issue S19, 14/21 March 1992, Pages: 15–26, Michael Ramek and Vincent K. W. Cheng

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560440706

  2. Ab-initioSCF investigation of glycolic acid

    International Journal of Quantum Chemistry

    Volume 44, Issue S26, 14/21 March 1992, Pages: 505–515, Michaela Flock and Michael Ramek

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560440846

  3. Ab initio SCF investigation of the potential energy surface of 4-aminobutanol

    International Journal of Quantum Chemistry

    Volume 48, Issue S27, 13/20 March 1993, Pages: 479–490, Anne-Marie Kelterer and Michael Ramek

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560480846

  4. Intramolecular hydrogen bonding in neutral glycine, β-alanine, γ-aminobutyric acid, and δ-aminopentane acid

    International Journal of Quantum Chemistry

    Volume 38, Issue S17, 17/24 March 1990, Pages: 45–53, Michael Ramek

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560381708

  5. Correlation of structural and physico-chemical parameters with the bioactivity of alkylated derivatives of indole-3-acetic acid, a phytohormone (auxin)

    Acta Crystallographica Section B

    Volume 56, Issue 1, February 2000, Pages: 94–111, Biljana Nigović, Snježana Antolić, Biserka Kojić-Prodić, Rudolf Kiralj, Volker Magnus and Branka Salopek-Sondi

    DOI: 10.1107/S0108768199006199

  6. Investigation of carbon deposition behavior on ferritic alloys in low S/C ratio using direct heating method

    Advances in Solid Oxide Fuel Cells X: Ceramic Engineering and Science Proceedings, Volume 35 Issue 3

    Takuya Ito, Kenjiro Fujita, Yoshio Matsuzaki, Mitsutoshi Ueda, Toshio Maruyama, Pages: 33–40, 2015

    Published Online : 23 JAN 2015, DOI: 10.1002/9781119040637.ch4

  7. Life Cycle Interpretation, Reporting and Critical Review

    Life Cycle Assessment (LCA): A Guide to Best Practice

    Walter Klöpffer, Birgit Grahl, Pages: 329–356, 2014

    Published Online : 11 APR 2014, DOI: 10.1002/9783527655625.ch5

  8. Remote Sensing of Ice and Snow

    Eos, Transactions American Geophysical Union

    Volume 68, Issue 4, 27 January 1987, Page: 51, Kenneth C. Jezek

    Article first published online : 3 JUN 2011, DOI: 10.1029/EO068i004p00051

  9. Semiconductor quantum dots devices: Recent advances and application prospects

    physica status solidi (b)

    Volume 243, Issue 15, December 2006, Pages: 3981–3987, J. P. Reithmaier, A. Somers, W. Kaiser, S. Deubert, F. Gerschütz, A. Forchel, O. Parillaud, M. Krakowski, R. Alizon, D. Hadass, A. Bilenca, H. Dery, V. Mikhelashvili, G. Eisenstein, M. Gioannini, I. Montrosset, T. W. Berg, M. van der Poel, J. Mørk and B. Tromborg

    Article first published online : 21 NOV 2006, DOI: 10.1002/pssb.200671518

  10. On the harmonics of the gyrofrequency observed on topside ionograms

    Journal of Geophysical Research

    Volume 70, Issue 5, 1 March 1965, Pages: 1113–1117, G. Wallis

    Article first published online : 7 DEC 2012, DOI: 10.1029/JZ070i005p01113

  11. Extraction of thorium from nitric acid solutions by some cyclohexyl- and benzyl-alkylamines

    Journal of Applied Chemistry

    Volume 14, Issue 1, January 1964, Pages: 41–46, Taichi Sato

    Article first published online : 4 MAY 2007, DOI: 10.1002/jctb.5010140106

  12. Thin polymer films on semiconductors: From their protection to the realization of molecular electronic devices

    Makromolekulare Chemie. Macromolecular Symposia

    Volume 8, Issue 1, March 1987, Pages: 159–170, Francis Garnier and Gilles Horowitz

    Article first published online : 2 MAR 2011, DOI: 10.1002/masy.19870080113

  13. Elektronenmikroskopische Untersuchung von Fehlstellenagglomeraten in ionenbestrahlten Kupferfolien II. Entstehung der Agglomerate

    physica status solidi (b)

    Volume 24, Issue 2, 1967, Pages: 623–633, H. Diepers

    Article first published online : 31 MAR 2006, DOI: 10.1002/pssb.19670240225

  14. On reactive processing of HDPE with 2-ethylhexyl acrylate

    Journal of Applied Polymer Science

    Volume 61, Issue 13, 26 September 1996, Pages: 2403–2409, Jürgen Schellenberg

    Article first published online : 7 DEC 1998, DOI: 10.1002/(SICI)1097-4628(19960926)61:13<2403::AID-APP20>3.0.CO;2-3

  15. Oxygen, Phosphorus or Sulfür Donor Ligands in Higher-Coordinated Organosilyl Chlorides and Triflates

    Organosilicon Chemistry Set: From Molecules to Materials

    U. H. Berlekamp, A. Mix, P. Jutzi, H. G. Stammler, B. Neumann, Pages: 489–493, 2008

    Published Online : 10 JUN 2008, DOI: 10.1002/9783527620777.ch83c

  16. Dielectric properties of betaine phosphite near the ferroelectric phase transition

    physica status solidi (a)

    Volume 148, Issue 2, 16 April 1995, Pages: 585–595, R. Cach, S. Dacko and Z. Czapla

    Article first published online : 16 FEB 2006, DOI: 10.1002/pssa.2211480227

  17. The structural dependence of two-bond 13C[BOND]13C coupling constants

    Organic Magnetic Resonance

    Volume 17, Issue 2, October 1981, Pages: 97–102, Martin Klessinger and Michael Stöcker

    Article first published online : 14 APR 2005, DOI: 10.1002/mrc.1270170205

  18. You have free access to this content
    Paediatric coma scales

    Developmental Medicine & Child Neurology

    Volume 50, Issue 4, April 2008, Pages: 267–274, Fenella J Kirkham, Charles R J C Newton and William Whitehouse

    Article first published online : 28 FEB 2008, DOI: 10.1111/j.1469-8749.2008.02042.x

  19. Charge carriers in P - doped polyacetylene, optical study

    Makromolekulare Chemie. Macromolecular Symposia

    Volume 24, Issue 1, January 1989, Pages: 107–114, M. Galtier, A. Montaner, Z. Lakhliai and A. Es Sbai

    Article first published online : 2 MAR 2011, DOI: 10.1002/masy.19890240110

  20. Genetics of acheiropodia (“the handless and footless families of Brazil”): X. Roentgenologic study

    American Journal of Medical Genetics

    Volume 2, Issue 4, 1978, Pages: 321–330, Dr Ademar Freire-maia, José Laredo-filho, Newton Freire-maia and Judith G. Hall

    Article first published online : 6 JUN 2005, DOI: 10.1002/ajmg.1320020402