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There are 1795791 results for: content related to: PyFrag—Streamlining your reaction path analysis

  1. The role of the helper virus, anthriscus yellows, in the transmission of parsnip yellow fleck virus by the aphid Cavariella aegopodii

    Annals of Applied Biology

    Volume 84, Issue 2, October 1976, Pages: 169–181, S. ELNAGAR and A. F. MURANT

    Article first published online : 26 FEB 2008, DOI: 10.1111/j.1744-7348.1976.tb01746.x

  2. GPU Acceleration for Density Functional Theory with Slater-Type Orbitals

    Electronic Structure Calculations on Graphics Processing Units: From Quantum Chemistry to Condensed Matter Physics

    Hans van Schoot, Lucas Visscher, Pages: 101–114, 2016

    Published Online : 19 FEB 2016, DOI: 10.1002/9781118670712.ch5

  3. Pyrene-functionalized oligofluorenes as non-doped deep blue emitters for solution-processed organic light-emitting diodes

    Journal of Polymer Science Part A: Polymer Chemistry

    Volume 54, Issue 6, 15 March 2016, Pages: 795–801, Zhaokang Fan, Nengquan Li, Yiwu Quan, Qingmin Chen, Shanghui Ye, Quli Fan and Wei Huang

    Article first published online : 19 OCT 2015, DOI: 10.1002/pola.27913

  4. You have full text access to this OnlineOpen article
    The activation strain model and molecular orbital theory

    Wiley Interdisciplinary Reviews: Computational Molecular Science

    Volume 5, Issue 4, July/August 2015, Pages: 324–343, Lando P. Wolters and F. Matthias Bickelhaupt

    Article first published online : 18 MAY 2015, DOI: 10.1002/wcms.1221

  5. Relations of the semi-persistent viruses, parsnip yellow fleck and anthriscus yellows, with their vector, Cav arietta aegopodii

    Annals of Applied Biology

    Volume 84, Issue 2, October 1976, Pages: 153–167, S. ELNAGAR and A. F. MURANT

    Article first published online : 26 FEB 2008, DOI: 10.1111/j.1744-7348.1976.tb01745.x

  6. Chemistry with ADF

    Journal of Computational Chemistry

    Volume 22, Issue 9, 15 July 2001, Pages: 931–967, G. te Velde, F. M. Bickelhaupt, E. J. Baerends, C. Fonseca Guerra, S. J. A. van Gisbergen, J. G. Snijders and T. Ziegler

    Article first published online : 23 APR 2001, DOI: 10.1002/jcc.1056

  7. QUILD: QUantum-regions interconnected by local descriptions

    Journal of Computational Chemistry

    Volume 29, Issue 5, 15 April 2008, Pages: 724–734, Marcel Swart and F. Matthias Bickelhaupt

    Article first published online : 27 SEP 2007, DOI: 10.1002/jcc.20834

  8. Selective C−H and C−C Bond Activation: Electronic Regimes as a Tool for Designing d10 MLn Catalysts

    Chemistry – An Asian Journal

    Volume 10, Issue 10, October 2015, Pages: 2272–2282, Lando P. Wolters and Prof. Dr. F. Matthias Bickelhaupt

    Article first published online : 28 JUL 2015, DOI: 10.1002/asia.201500368

  9. The role of ferulic acid and arabinoxylan in inducing premature yeast flocculation

    Journal of the Institute of Brewing

    Volume 121, Issue 1, 2015, Pages: 49–54, Yue-Ling Shang, Xiao-Min Li, Guo-Lin Cai and Jian Lu

    Article first published online : 25 JAN 2015, DOI: 10.1002/jib.204

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    Premature yeast flocculation factors from barley malt present in both malt husk and the non-husk part

    Journal of the Institute of Brewing

    Volume 120, Issue 3, 2014, Pages: 220–224, Yue-Ling Shang, Xiao-Min Li, Guo-Lin Cai, Jian Lu and Jian Chen

    Article first published online : 21 APR 2014, DOI: 10.1002/jib.130

  11. New Concepts for Designing d10-M(L)n Catalysts: d Regime, s Regime and Intrinsic Bite-Angle Flexibility

    Chemistry - A European Journal

    Volume 20, Issue 36, September 1, 2014, Pages: 11370–11381, Lando P. Wolters, Dr. Willem-Jan van Zeist and Prof. Dr. F. Matthias Bickelhaupt

    Article first published online : 31 JUL 2014, DOI: 10.1002/chem.201403237

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    Optimization of a Small-scale Fermentation Test to Predict the Premature Yeast Flocculation Potential of Malts

    Journal of the Institute of Brewing

    Volume 116, Issue 4, 2010, Pages: 413–420, Apostolos G. Panteloglou, Wendy G. Box, Katherine A. Smart and David J. Cook

    Article first published online : 9 OCT 2012, DOI: 10.1002/j.2050-0416.2010.tb00792.x

  13. Analytical second derivatives in the Amsterdam density functional package

    International Journal of Quantum Chemistry

    Volume 104, Issue 5, 2005, Pages: 645–659, Stephen K. Wolff

    Article first published online : 18 MAY 2005, DOI: 10.1002/qua.20653

  14. Frontside versus Backside SN2 Substitution at Group 14 Atoms: Origin of Reaction Barriers and Reasons for Their Absence

    Chemistry – An Asian Journal

    Volume 3, Issue 10, October 6, 2008, Pages: 1783–1792, A. Patrícia Bento and F. Matthias Bickelhaupt

    Article first published online : 19 AUG 2008, DOI: 10.1002/asia.200800065

  15. Host ranges and serological properties of eight isolates of parsnip yellow fleck virus belonging to the two major serotypes

    Annals of Applied Biology

    Volume 114, Issue 1, February 1989, Pages: 101–109, S. K. HEMIDA and A. F. MURANT

    Article first published online : 28 JUN 2008, DOI: 10.1111/j.1744-7348.1989.tb06790.x

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    A Method to Detect Anti-metabolic Factors in Fermentations

    Journal of the Institute of Brewing

    Volume 116, Issue 3, 2010, Pages: 280–284, Ashley V. Porter, Joseph C. Lake, Tom A. Gill and R. Alex Speers

    Article first published online : 16 MAY 2012, DOI: 10.1002/j.2050-0416.2010.tb00432.x

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    125th Anniversary Review: Yeast Flocculation and Sedimentation in Brewing

    Journal of the Institute of Brewing

    Volume 117, Issue 4, 2011, Pages: 475–487, Virve Vidgren and John Londesborough

    Article first published online : 16 MAY 2012, DOI: 10.1002/j.2050-0416.2011.tb00495.x

  18. Substitution effect on the intermolecular halogen and hydrogen bonds of the σ-bonded fluorinated pyridine···XY/HX complexes (XY = F2, Cl2, ClF; HX = HF, HCl)

    International Journal of Quantum Chemistry

    Volume 114, Issue 13, 5 July 2014, Pages: 869–878, Vladimir Sladek, Kraiwan Punyain, Michal Ilčin and Vladimír Lukeš

    Article first published online : 14 APR 2014, DOI: 10.1002/qua.24679

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    A flexible implementation of frozen-density embedding for use in multilevel simulations

    Journal of Computational Chemistry

    Volume 29, Issue 6, 30 April 2008, Pages: 1011–1018, Christoph R. Jacob, Johannes Neugebauer and Lucas Visscher

    Article first published online : 6 NOV 2007, DOI: 10.1002/jcc.20861

  20. Expression and secretion of outer surface protein (OSP-A) of Borrelia burgdorferi from Escherichia coli

    FEMS Microbiology Letters

    Volume 109, Issue 2-3, May 1993, Pages: 297–301, Yung-Fu Chang, Tsai-Ling Lauderdale, Woo Y. Lee, Sang J. Shin, Richard H. Jacobson, Max J. Appel and Donald H. Lein

    Article first published online : 17 JAN 2006, DOI: 10.1111/j.1574-6968.1993.tb06184.x