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There are 5032 results for: content related to: Electron detachment energies of aqueous and cluster halide anions from electron propagator calculations with the polarizable continuum model

  1. Ab initio electron propagator calculations on electron detachment energies of nickel phthalocyanine tetrasulfonate tetraanions

    International Journal of Quantum Chemistry

    Volume 112, Issue 1, January 2012, Pages: 184–194, Olga Dolgounitcheva, V. G. Zakrzewski and J. V. Ortiz

    Article first published online : 29 AUG 2011, DOI: 10.1002/qua.23216

  2. Electronic structure of a beryllium half-sandwich complex, Be(η5-C5H5)

    International Journal of Quantum Chemistry

    Volume 112, Issue 18, 15 September 2012, Pages: 2981–2985, Olga Dolgounitcheva, V. G. Zakrzewski and J. V. Ortiz

    Article first published online : 4 JUN 2012, DOI: 10.1002/qua.24180

  3. You have free access to this content
    Insight into Selectivity of Peptidomimetic Inhibitors with Modified Statine Core for Plasmepsin II of Plasmodium falciparum over Human Cathepsin D

    Chemical Biology & Drug Design

    Volume 79, Issue 4, April 2012, Pages: 411–430, Brice Dali, Melalie Keita, Eugene Megnassan, Vladimir Frecer and Stanislav Miertus

    Article first published online : 21 MAR 2012, DOI: 10.1111/j.1747-0285.2011.01276.x

  4. Estimation of age at death of sika deer (Cervus nippon) from an archaeological site based on radiographs of mandibular molariform tooth development

    International Journal of Osteoarchaeology

    Volume 22, Issue 2, March/April 2012, Pages: 185–193, T. Yamazaki, T. Jogahara, K. Koyasu and S.-I. Oda

    Article first published online : 2 AUG 2010, DOI: 10.1002/oa.1195

  5. Delocalization of Dyson orbitals in F(H2O) and Cl(H2O)

    International Journal of Quantum Chemistry

    Volume 111, Issue 7-8, June - July 2011, Pages: 1701–1708, O. Dolgounitcheva, V. G. Zakrzewski and J. V. Ortiz

    Article first published online : 29 JUN 2010, DOI: 10.1002/qua.22705

  6. Electron propagator studies of vertical electron detachment energies and isomerism in purinic deoxyribonucleotides

    International Journal of Quantum Chemistry

    Volume 107, Issue 12, 2007, Pages: 2266–2273, V. V. Zakjevskii, O. Dolgounitcheva, V. G. Zakrzewski and J. V. Ortiz

    Article first published online : 16 MAR 2007, DOI: 10.1002/qua.21330

  7. Trade Policy in Lobbying Equilibrium: With Non-Traded and Traded Final Goods and Intermediate Inputs

    Economics & Politics

    Volume 27, Issue 2, July 2015, Pages: 313–336, Ram C. Acharya

    Article first published online : 15 MAR 2015, DOI: 10.1111/ecpo.12058

  8. Estimates of triplet invariants given a model structure

    Acta Crystallographica Section A

    Volume 68, Issue 4, July 2012, Pages: 513–520, Maria Cristina Burla, Benedetta Carrozzini, Giovanni Luca Cascarano, Giuliana Comunale, Carmelo Giacovazzo, Annamaria Mazzone and Giampiero Polidori

    DOI: 10.1107/S0108767312022751

  9. Chemical Modification and Energetically Favorable Atomic Disorder of a Layered Thermoelectric Material TmCuTe2 Leading to High Performance

    Chemistry - A European Journal

    Volume 20, Issue 47, November 17, 2014, Pages: 15401–15408, Dr. Hua Lin, Hong Chen, Jin-Ni Shen, Prof. Ling Chen and Prof. Li-Ming Wu

    Article first published online : 5 OCT 2014, DOI: 10.1002/chem.201404453

  10. Self-Assemblies Based on [Cp2Mo2(CO)4(μ,η2-P2)]—Solid-State Structure and Dynamic Behaviour in Solution

    Chemistry - A European Journal

    Volume 14, Issue 1, December 28, 2007, Pages: 282–295, Manfred Scheer, Laurence J. Gregoriades, Manfred Zabel, Junfeng Bai, Ingo Krossing, Gunther Brunklaus and Hellmut Eckert

    Article first published online : 26 SEP 2007, DOI: 10.1002/chem.200700715

  11. Ab initio electron propagator methods: Applications to nucleic acids fragments and metallophthalocyanines

    International Journal of Quantum Chemistry

    Volume 110, Issue 15, December 2010, Pages: 2918–2930, Viatcheslav G. Zakrzewski, Olga Dolgounitcheva, Alexander V. Zakjevskii and J. V. Ortiz

    Article first published online : 19 AUG 2010, DOI: 10.1002/qua.22836

  12. Nonparametric Bayesian estimation of the three-way receiver operating characteristic surface

    Biometrical Journal

    Volume 53, Issue 6, November 2011, Pages: 1011–1024, Vanda Inácio, Antónia A. Turkman, Christos T. Nakas and Todd A. Alonzo

    Article first published online : 8 NOV 2011, DOI: 10.1002/bimj.201100070

  13. Lithium-Filled Double-Deck Layered Structure of the RELixCu2–yP2 (RE = La, Pr, Nd, Gd, Er; 0.82 ≤ x ≤ 1; 1.19 ≤ y ≤ 1.54) Series: Experimental and Theoretical Studies

    European Journal of Inorganic Chemistry

    Volume 2015, Issue 17, June 2015, Pages: 2786–2793, Eunyoung Jang, Gnu Nam, Hyein Woo, Junseong Lee, Mi-Kyung Han, Sung-Jin Kim and Tae-Soo You

    Article first published online : 15 MAY 2015, DOI: 10.1002/ejic.201500387

  14. New Compounds Bearing [M(S2O7)3]2– Anions (M = Si, Ge, Sn): Syntheses and Characterization of A2[Si(S2O7)3] (A = Na, K, Rb), A2[Ge(S2O7)3] (A = Li, Na, K, Rb, Cs), A2[Sn(S2O7)3] (A = Na, K), and the Unique Germanate Hg2[Ge(S2O7)3]Cl2 with Cationic 1[HgCl2/2]+ Chains

    Zeitschrift für anorganische und allgemeine Chemie

    Volume 638, Issue 12-13, October 2012, Pages: 2053–2061, Christian Logemann, Julia Witt, Daniel Gunzelmann, Jürgen Senker and Prof. Dr. Mathias S. Wickleder

    Article first published online : 8 OCT 2012, DOI: 10.1002/zaac.201200343

  15. Generalized oscillator strength of endohedral molecules

    International Journal of Quantum Chemistry

    Volume 112, Issue 18, 15 September 2012, Pages: 3119–3130, M. Ya. Amusia, L. V. Chernysheva and E. Z. Liverts

    Article first published online : 20 JUL 2012, DOI: 10.1002/qua.24293

  16. Light-Induced Bistability in the 2 D Coordination Network {[Fe(bbtr)3][BF4]2}: Wavelength-Selective Addressing of Molecular Spin States

    Chemistry - A European Journal

    Volume 19, Issue 34, August 19, 2013, Pages: 11418–11428, Dr. Pradip Chakraborty, Dr. Sebastien Pillet, Dr. El-Eulmi Bendeif, Dr. Cristian Enachescu, Dr. Robert Bronisz and Prof. Andreas Hauser

    Article first published online : 12 JUL 2013, DOI: 10.1002/chem.201301257

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    Equivalence of superspace groups

    Acta Crystallographica Section A

    Volume 69, Issue 1, January 2013, Pages: 75–90, Sander van Smaalen, Branton J. Campbell and Harold T. Stokes

    DOI: 10.1107/S0108767312041657

  18. Oxidant/antioxidant status in children and adolescents with immune thrombocytopenia (ITP) and the role of an adjuvant antioxidant therapy

    Pediatric Blood & Cancer

    Volume 62, Issue 5, May 2015, Pages: 830–837, Mohssen S. Elalfy, Yasmine I. Elhenawy, Shaymaa Deifalla, Marwa Hegazy, Amira Sabra and Yasmine Abdelaziz

    Article first published online : 7 FEB 2015, DOI: 10.1002/pbc.25434

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    Erratum: Erratum

    Vol. 62, Issue 8, 1494, Article first published online: 24 JUN 2015

  19. Adding a graphical output to a theorem prover: Results of a comparison of the acceptance from a teaching point of view

    Computer Applications in Engineering Education

    Jose A. Maestro-Prieto and Arancha Simon-Hurtado

    Article first published online : 8 MAY 2015, DOI: 10.1002/cae.21654

  20. Metal-Organic Niccolite: Synthesis, Structures, Phase Transition, and Magnetic Properties of [CH3NH2(CH2)2NH2CH3][M2(HCOO)6] (M=divalent Mn, Fe, Co, Ni, Cu and Zn)

    Chemistry – An Asian Journal

    Volume 6, Issue 11, November 4, 2011, Pages: 3084–3096, Meng-Yuan Li, Dr. Mohamedally Kurmoo, Prof. Zhe-Ming Wang and Prof. Song Gao

    Article first published online : 29 AUG 2011, DOI: 10.1002/asia.201100290