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There are 15417 results for: content related to: Uncertainty quantification in thermochemistry, benchmarking electronic structure computations, and Active Thermochemical Tables

  1. You have free access to this content
    Methods for describing open-shell systems: Following the trail of Rosa Caballol's research

    International Journal of Quantum Chemistry

    Volume 114, Issue 8, 15 April 2014, Pages: 481–492, Coen de Graaf and Mar Reguero

    Article first published online : 5 JAN 2014, DOI: 10.1002/qua.24601

  2. An overview of recent advances in designing orthopedic and craniofacial implants

    Journal of Biomedical Materials Research Part A

    Volume 101, Issue 11, November 2013, Pages: 3349–3364, Venkata P. Mantripragada, Beata Lecka-Czernik, Nabil A. Ebraheim and Ambalangodage C. Jayasuriya

    Article first published online : 13 JUN 2013, DOI: 10.1002/jbm.a.34605

  3. Charge distribution in Mn(salen) complexes

    International Journal of Quantum Chemistry

    Volume 114, Issue 8, 15 April 2014, Pages: 525–533, Filipe Teixeira, Ricardo Mosquera, André Melo, Cristina Freire and Maria Natália D. S. Cordeiro

    Article first published online : 4 JAN 2014, DOI: 10.1002/qua.24604

  4. The Optical Fiber Tip: An Inherently Light-Coupled Microscopic Platform for Micro- and Nanotechnologies

    Advanced Materials

    Volume 26, Issue 23, June 18, 2014, Pages: 3798–3820, Gorgi Kostovski, Paul R. Stoddart and Arnan Mitchell

    Article first published online : 5 MAR 2014, DOI: 10.1002/adma.201304605

  5. Mathematical framework for unsaturated flow in the finite deformation range

    International Journal for Numerical Methods in Engineering

    Volume 97, Issue 9, 02 March 2014, Pages: 658–682, Xiaoyu Song and Ronaldo I. Borja

    Article first published online : 27 DEC 2013, DOI: 10.1002/nme.4605

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    Survey of phosphorylation near drug binding sites in the Protein Data Bank (PDB) and their effects

    Proteins: Structure, Function, and Bioinformatics

    Volume 83, Issue 1, January 2015, Pages: 25–36, Kyle P. Smith, Kathleen M. Gifford, Joshua S. Waitzman and Sarah E. Rice

    Article first published online : 18 NOV 2014, DOI: 10.1002/prot.24605

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    VP and VS structure of the Yellowstone hot spot from teleseismic tomography: Evidence for an upper mantle plume

    Journal of Geophysical Research: Solid Earth (1978–2012)

    Volume 111, Issue B4, April 2006, Gregory P. Waite, Robert B. Smith and Richard M. Allen

    Article first published online : 13 APR 2006, DOI: 10.1029/2005JB003867

  8. Quantum delocalization of benzene in the ring puckering coordinates

    International Journal of Quantum Chemistry

    Volume 114, Issue 8, 15 April 2014, Pages: 534–542, Łukasz Walewski, Przemysław Dopieralski, Oleg V. Shishkin and Zdzisław Latajka

    Article first published online : 4 JAN 2014, DOI: 10.1002/qua.24606

  9. Intermolecular interactions of formic acid with benzene: Energy decomposition analyses with ab initio MP2 and double-hybrid density functional computations

    International Journal of Quantum Chemistry

    Volume 113, Issue 21, 5 November 2013, Pages: 2355–2360, Feng Yu

    Article first published online : 9 MAY 2013, DOI: 10.1002/qua.24460

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    Perspective: Relativistic Hamiltonians

    International Journal of Quantum Chemistry

    Volume 114, Issue 15, 5 August 2014, Pages: 983–986, Wenjian Liu

    Article first published online : 20 DEC 2013, DOI: 10.1002/qua.24600

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    Magnetic nanowire synthesis: A chemical engineering approach

    AIChE Journal

    Volume 61, Issue 1, January 2015, Pages: 304–316, Ouar Nassima, Farhat Samir, Mercone Silvana, Zighem Fatih, Schoenstein Frédéric, Jouini Noureddine, Hinkov Ivaylo, Wang Guillaume and Ricolleau Christian

    Article first published online : 5 SEP 2014, DOI: 10.1002/aic.14605

  12. Efficient calculation of two-electron integrals for high angular basis functions

    International Journal of Quantum Chemistry

    Volume 114, Issue 9, 5 May 2014, Pages: 543–552, Koji Yasuda and Hironori Maruoka

    Article first published online : 15 JAN 2014, DOI: 10.1002/qua.24607

  13. On-line coupled capillary isotachophoresis-capillary zone electrophoresis in hydrodynamically closed separation system hyphenated with laser induced fluorescence detection

    ELECTROPHORESIS

    Volume 34, Issue 8, April 2013, Pages: 1223–1231, Peter Mikuš, Lucia Veizerová, Juraj Piešťanský, Katarína Maráková and Emil Havránek

    Article first published online : 18 MAR 2013, DOI: 10.1002/elps.201200556

  14. Electrosynthesis of dimethyl carbonate from methanol and CO2 using potassium methoxide and the ionic liquid [bmim][Br] in a filter-press cell: a study of the influence of cell configuration

    Journal of Chemical Technology and Biotechnology

    Isabel Garcia-Herrero, Manuel Alvarez-Guerra and Angel Irabien

    Article first published online : 23 DEC 2014, DOI: 10.1002/jctb.4605

  15. Synthesis and characterization of polyrotaxanes comprising α-cyclodextrins and poly(ε-caprolactone) end-capped with poly(butyl methacrylate)s

    Polymer International

    Volume 63, Issue 6, June 2014, Pages: 1025–1034, Pei-jing Wang, Lin Ye, Ai-ying Zhang and Zeng-guo Feng

    Article first published online : 15 SEP 2013, DOI: 10.1002/pi.4605

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    The interaction of iron and metal-free meso-tetra (4-sulfonatophenyl) porphines with CVD graphene: a comparative Raman spectroscopy study

    Journal of Raman Spectroscopy

    Volume 46, Issue 1, January 2015, Pages: 94–99, Denys Naumenko, Iuliia Naumenko, Nora Grinceviciute and Valentinas Snitka

    Article first published online : 28 OCT 2014, DOI: 10.1002/jrs.4605

  17. Phase 2 trial of cixutumumab in children, adolescents, and young adults with refractory solid tumors: A report from the Children's Oncology Group

    Pediatric Blood & Cancer

    Volume 61, Issue 3, March 2014, Pages: 452–456, Brenda Weigel, Suman Malempati, Joel M. Reid, Stephan D. Voss, Steven Y. Cho, Helen X. Chen, Mark Krailo, Doojduen Villaluna, Peter C. Adamson and Susan M. Blaney

    Article first published online : 17 AUG 2013, DOI: 10.1002/pbc.24605

  18. Breakpoint regions of ETO gene involved in (8; 21) leukemic translocations are enriched in acetylated histone H3

    Journal of Cellular Biochemistry

    Volume 114, Issue 11, November 2013, Pages: 2569–2576, Marcela Stuardo, Sandra Nicovani, Amjad Javed and Soraya Gutierrez

    Article first published online : 12 SEP 2013, DOI: 10.1002/jcb.24605

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    Absence of the prion protein homologue Doppel causes male sterility

    The EMBO Journal

    Volume 21, Issue 14, July 15, 2002, Pages: 3652–3658, Axel Behrens, Nicolas Genoud, Heike Naumann, Thomas Rülicke, Fredi Janett, Frank L. Heppner, Birgit Ledermann and Adriano Aguzzi

    Article first published online : 15 JUL 2002, DOI: 10.1093/emboj/cdf386

  20. Microstructure characterization of a decellularized vocal fold scaffold for laryngeal tissue engineering

    The Laryngoscope

    Volume 124, Issue 8, August 2014, Pages: E326–E331, Justin R. Tse and Jennifer L. Long

    Article first published online : 1 MAR 2014, DOI: 10.1002/lary.24605