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There are 822130 results for: content related to: Quantum Monte Carlo for Ab Initio calculations of energy-relevant materials

  1. You have free access to this content
    Hubbard-corrected DFT energy functionals: The LDA+U description of correlated systems

    International Journal of Quantum Chemistry

    Volume 114, Issue 1, 5 January 2014, Pages: 14–49, Burak Himmetoglu, Andrea Floris, Stefano de Gironcoli and Matteo Cococcioni

    Version of Record online : 26 JUL 2013, DOI: 10.1002/qua.24521

  2. You have full text access to this OnlineOpen article
    Theory and calculation for the electronic coupling in excitation energy transfer

    International Journal of Quantum Chemistry

    Volume 114, Issue 2, 15 January 2014, Pages: 102–115, Zhi-Qiang You and Chao-Ping Hsu

    Version of Record online : 7 AUG 2013, DOI: 10.1002/qua.24528

  3. You have full text access to this OnlineOpen article
    Optimizing IgG therapy in chronic autoimmune neuropathies: A hypothesis driven approach

    Muscle & Nerve

    Volume 51, Issue 3, March 2015, Pages: 315–326, Melvin Berger and Jeffrey A. Allen

    Version of Record online : 29 JAN 2015, DOI: 10.1002/mus.24526

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    Density matrix renormalization group for ab initio Calculations and associated dynamic correlation methods: A review of theory and applications

    International Journal of Quantum Chemistry

    Volume 115, Issue 5, March 5, 2015, Pages: 283–299, Takeshi Yanai, Yuki Kurashige, Wataru Mizukami, Jakub Chalupský, Tran Nguyen Lan and Masaaki Saitow

    Version of Record online : 22 OCT 2014, DOI: 10.1002/qua.24808

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    Global optimization of clusters using electronic structure methods

    International Journal of Quantum Chemistry

    Volume 113, Issue 18, September 15, 2013, Pages: 2091–2109, Sven Heiles and Roy L. Johnston

    Version of Record online : 18 MAY 2013, DOI: 10.1002/qua.24462

  6. Modulation of hydrogen bonding upon ion binding: Insights into cooperativity

    International Journal of Quantum Chemistry

    Volume 114, Issue 2, 15 January 2014, Pages: 145–153, A. Subha Mahadevi and G. Narahari Sastry

    Version of Record online : 10 AUG 2013, DOI: 10.1002/qua.24529

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    Tensor product methods and entanglement optimization for ab initio quantum chemistry

    International Journal of Quantum Chemistry

    Volume 115, Issue 19, October 5, 2015, Pages: 1342–1391, Szilárd Szalay, Max Pfeffer, Valentin Murg, Gergely Barcza, Frank Verstraete, Reinhold Schneider and Örs Legeza

    Version of Record online : 25 MAY 2015, DOI: 10.1002/qua.24898

  8. The transporter SynPAM71 is located in the plasma membrane and thylakoids, and mediates manganese tolerance in Synechocystis PCC6803

    New Phytologist

    Volume 215, Issue 1, July 2017, Pages: 256–268, Chiara Gandini, Sidsel Birkelund Schmidt, Søren Husted, Anja Schneider and Dario Leister

    Version of Record online : 20 MAR 2017, DOI: 10.1111/nph.14526

  9. mGluR long-term depression regulates GluA2 association with COPII vesicles and exit from the endoplasmic reticulum

    The EMBO Journal

    Volume 36, Issue 2, 17 January 2017, Pages: 232–244, Joseph E Pick, Latika Khatri, Matheus F Sathler and Edward B Ziff

    Version of Record online : 17 NOV 2016, DOI: 10.15252/embj.201694526

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    Annals of Neurology

    Volume 79, Issue 1, January 2016, Pages: 161–163, Gemma Tell-Martí, Joan Anton Puig-Butille, Miriam Potrony, Celia Badenas, Montserrat Milà, Josep Malvehy, María José Martí, Mario Ezquerra, Rubén Fernández-Santiago and Susana Puig

    Version of Record online : 12 DEC 2015, DOI: 10.1002/ana.24526

  11. Temporal dynamics and spatial patterns of drought and the relation to ENSO: a case study in Northwest China

    International Journal of Climatology

    Volume 36, Issue 8, 30 June 2016, Pages: 2886–2898, Zhiyong Liu, Lucas Menzel, Chunyu Dong and Ruihong Fang

    Version of Record online : 19 OCT 2015, DOI: 10.1002/joc.4526

  12. The influence of benzene rings on aromatic pathways in the porphyrins

    International Journal of Quantum Chemistry

    Volume 113, Issue 23, 5 December 2013, Pages: 2563–2567, Rashid R. Valiev and Victor N. Cherepanov

    Version of Record online : 2 AUG 2013, DOI: 10.1002/qua.24523

  13. Relationships between epistaxis, migraines, and triggers in hereditary hemorrhagic telangiectasia

    The Laryngoscope

    Volume 124, Issue 7, July 2014, Pages: 1521–1528, Amy Elphick and Claire L. Shovlin

    Version of Record online : 23 JAN 2014, DOI: 10.1002/lary.24526

  14. Theoretical study on a chemosensor for fluoride anion-based on a urea derivative

    International Journal of Quantum Chemistry

    Volume 114, Issue 2, 15 January 2014, Pages: 138–144, Wenfang Liu, Bingqiang Wang, Caiyun Zhang, Xiaofen Yin and Jian Zhang

    Version of Record online : 5 AUG 2013, DOI: 10.1002/qua.24527

  15. Raman spectroscopy as a non-destructive screening technique for studying white substances from archaeological and forensic burial contexts

    Journal of Raman Spectroscopy

    Volume 45, Issue 11-12, November-December 2014, Pages: 1301–1308, Eline M. J. Schotsmans, Andrew S. Wilson, Rhea Brettell, Tasnim Munshi and Howell G. M. Edwards

    Version of Record online : 2 JUL 2014, DOI: 10.1002/jrs.4526

  16. Choline Inadequacy Impairs Trophoblast Function and Vascularization in Cultured Human Placental Trophoblasts

    Journal of Cellular Physiology

    Volume 229, Issue 8, August 2014, Pages: 1016–1027, Xinyin Jiang, Sara Jones, Benjamin Y. Andrew, Anita Ganti, Olga V. Malysheva, Natasa Giallourou, Patsy M. Brannon, Mark S. Roberson and Marie A. Caudill

    Version of Record online : 23 APR 2014, DOI: 10.1002/jcp.24526

  17. The enemy within: phloem-limited pathogens

    Molecular Plant Pathology

    Claire Bendix and Jennifer D. Lewis

    Version of Record online : 9 MAR 2017, DOI: 10.1111/mpp.12526

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    Odd-hydrogen: An account on electronic structure, kinetics, and role of water in mediating reactions with atmospheric ozone. Just a catalyst or far beyond?

    International Journal of Quantum Chemistry

    Volume 114, Issue 20, October 15, 2014, Pages: 1327–1349, António J. C. Varandas

    Version of Record online : 21 NOV 2013, DOI: 10.1002/qua.24580

  19. Emerging polymorphism in nanostructured TiO2: Quantum chemical comparison of anatase, rutile, and brookite clusters

    International Journal of Quantum Chemistry

    Volume 113, Issue 24, 15 December 2013, Pages: 2611–2620, Marta Gałyńska and Petter Persson

    Version of Record online : 31 JUL 2013, DOI: 10.1002/qua.24522

  20. Pharmacologic inhibition of epigenetic modification reveals targets of aberrant promoter methylation in ewing sarcoma

    Pediatric Blood & Cancer

    Volume 60, Issue 9, September 2013, Pages: 1437–1446, Shawnagay Nestheide, Julia A. Bridge, Michael Barnes, Robert Frayer and Janos Sumegi

    Version of Record online : 18 MAR 2013, DOI: 10.1002/pbc.24526