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There are 36425 results for: content related to: Reaction cycles and poisoning in catalysis by gold clusters: A thermodynamics approach

  1. Bound state solutions of D-dimensional schrödinger equation with exponential-type potentials

    International Journal of Quantum Chemistry

    Volume 115, Issue 3, February 5, 2015, Pages: 158–164, José Juan Peña, Jesús García-Martínez, Jesus García-Ravelo and Jesus Morales

    Version of Record online : 10 OCT 2014, DOI: 10.1002/qua.24803

  2. Geometry of the canonical Van Vleck transformation

    International Journal of Quantum Chemistry

    Volume 115, Issue 24, December 15, 2015, Pages: 1691–1708, Flemming Jørgensen

    Version of Record online : 30 SEP 2015, DOI: 10.1002/qua.24992

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    Chemical and ionization potentials: Relation via the Pauli potential and NOF theory

    International Journal of Quantum Chemistry

    Volume 116, Issue 11, June 5, 2016, Pages: 805–818, M. Piris and N. H. March

    Version of Record online : 4 NOV 2015, DOI: 10.1002/qua.25039

  4. Computational method for the retarded potential in the real-time simulation of quantum electrodynamics

    International Journal of Quantum Chemistry

    Volume 116, Issue 12, June 15, 2016, Pages: 932–938, Masahiro Fukuda, Kento Naito, Kazuhide Ichikawa and Akitomo Tachibana

    Version of Record online : 18 FEB 2016, DOI: 10.1002/qua.25103

  5. Hohenberg–Kohn theorems in the presence of magnetic field

    International Journal of Quantum Chemistry

    Volume 114, Issue 12, 15 June 2014, Pages: 782–795, Andre Laestadius and Michael Benedicks

    Version of Record online : 18 APR 2014, DOI: 10.1002/qua.24668

  6. Investment in Shared Suppliers: Effect of Learning, Spillover, and Competition

    Production and Operations Management

    Volume 25, Issue 4, April 2016, Pages: 736–750, Anupam Agrawal, Youngsoo Kim, H. Dharma Kwon and Suresh Muthulingam

    Version of Record online : 9 OCT 2015, DOI: 10.1111/poms.12503

  7. Some Aspects of Equilibrium for a Cross-Section of Firms Signalling Profitability with Dividends: A Note

    The Journal of Finance

    Volume 41, Issue 1, March 1986, Pages: 249–253, ANIL K. MAKHIJA and HOWARD E. THOMPSON

    Version of Record online : 30 APR 2012, DOI: 10.1111/j.1540-6261.1986.tb04503.x

  8. A four-noded quadrilateral element for composite laminated plates/shells using the refined zigzag theory

    International Journal for Numerical Methods in Engineering

    Volume 95, Issue 8, 24 August 2013, Pages: 631–660, A. Eijo, E. Oñate and S. Oller

    Version of Record online : 20 MAY 2013, DOI: 10.1002/nme.4503

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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

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    Modeling of electron transfer across electrochemical interfaces: State-of-the art and challenges for quantum and computational chemistry

    International Journal of Quantum Chemistry

    Volume 116, Issue 3, February 5, 2016, Pages: 189–201, Renat R. Nazmutdinov, Michael D. Bronshtein, Tamara T. Zinkicheva and Dmitrii V. Glukhov

    Version of Record online : 11 NOV 2015, DOI: 10.1002/qua.25035

  11. Unpaired electrons, spin polarization, and bond orders in radicals from the 2-RDM in orbital spaces: Basic notions and testing calculations

    International Journal of Quantum Chemistry

    Volume 114, Issue 11, 5 June 2014, Pages: 696–707, Padeleimon Karafiloglou and Katerina Kyriakidou

    Version of Record online : 10 FEB 2014, DOI: 10.1002/qua.24620

  12. Sampled-data control under magnitude and rate saturating actuators

    International Journal of Robust and Nonlinear Control

    A. H. K. Palmeira, J.M. Gomes da Silva Jr., S. Tarbouriech and I. M. F. Ghiggi

    Version of Record online : 18 JAN 2016, DOI: 10.1002/rnc.3503

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    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

  14. Exponential stability for markovian jumping stochastic BAM neural networks with mode-dependent probabilistic time-varying delays and impulse control

    Complexity

    Volume 20, Issue 3, January/February 2015, Pages: 39–65, R. Rakkiyappan, A. Chandrasekar, S. Lakshmanan and Ju H. Park

    Version of Record online : 7 FEB 2014, DOI: 10.1002/cplx.21503

  15. Interaction energies between metal ions (Zn2+ and Cd2+) and biologically relevant ligands

    International Journal of Quantum Chemistry

    Volume 113, Issue 23, 5 December 2013, Pages: 2554–2562, Emma Ahlstrand, Daniel Spångberg, Kersti Hermansson and Ran Friedman

    Version of Record online : 23 JUL 2013, DOI: 10.1002/qua.24506

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    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

  17. Nonstationarity and related measures for time-dependent hartree–fock and multiconfigurational models

    International Journal of Quantum Chemistry

    Volume 113, Issue 23, 5 December 2013, Pages: 2489–2505, Anatoliy V. Luzanov

    Version of Record online : 9 JUN 2013, DOI: 10.1002/qua.24487

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    An overview of continuum models for nonequilibrium solvation: Popular theories and new challenge

    International Journal of Quantum Chemistry

    Volume 115, Issue 11, June 5, 2015, Pages: 700–721, Xiang-Yuan Li

    Version of Record online : 4 APR 2015, DOI: 10.1002/qua.24901

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    Classical and quantum dynamics at surfaces: Basic concepts from simple models

    International Journal of Quantum Chemistry

    Matteo Bonfanti and Rocco Martinazzo

    Version of Record online : 7 JUL 2016, DOI: 10.1002/qua.25192

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    Basics of the spin Hamiltonian formalism

    International Journal of Quantum Chemistry

    Volume 114, Issue 22, November 15, 2014, Pages: 1495–1512, Mohammad Mostafanejad

    Version of Record online : 18 JUN 2014, DOI: 10.1002/qua.24721