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There are 424775 results for: content related to: Cover Image, Volume 34, Issue 8

  1. You have free access to this content
    Inside Cover, Volume 34, Issue 8

    Journal of Computational Chemistry

    Volume 34, Issue 8, 30 March 2013, Pages: iii–iv,

    Article first published online : 21 FEB 2013, DOI: 10.1002/jcc.23259

  2. C5Li7+ and O2Li5+ as Noble-Gas-Trapping Agents

    Chemistry - A European Journal

    Volume 19, Issue 7, February 11, 2013, Pages: 2322–2329, Sudip Pan, Maryel Contreras, Jonathan Romero, Prof. Andres Reyes, Prof. Pratim K. Chattaraj and Prof. Gabriel Merino

    Article first published online : 7 JAN 2013, DOI: 10.1002/chem.201203245

  3. New insight into the electronic structure of iron(IV)-oxo porphyrin compound I. A quantum chemical topological analysis

    Journal of Computational Chemistry

    Volume 34, Issue 9, 5 April 2013, Pages: 780–789, Ignacio Viciano, Slawomir Berski, Sergio Martí and Juan Andrés

    Article first published online : 12 DEC 2012, DOI: 10.1002/jcc.23201

  4. Long-range corrected functionals satisfy Koopmans' theorem: Calculation of correlation and relaxation energies

    Journal of Computational Chemistry

    Volume 34, Issue 11, 30 April 2013, Pages: 958–964, Rahul Kar, Jong-Won Song and Kimihiko Hirao

    Article first published online : 8 JAN 2013, DOI: 10.1002/jcc.23222

  5. Quantum Monte Carlo for large chemical systems: Implementing efficient strategies for petascale platforms and beyond

    Journal of Computational Chemistry

    Volume 34, Issue 11, 30 April 2013, Pages: 938–951, Anthony Scemama, Michel Caffarel, Emmanuel Oseret and William Jalby

    Article first published online : 3 JAN 2013, DOI: 10.1002/jcc.23216

  6. Determining the age of young embedded clusters

    Monthly Notices of the Royal Astronomical Society

    Volume 418, Issue 4, December 2011, Pages: 2219–2233, J. J. Stead and M. G. Hoare

    Article first published online : 17 NOV 2011, DOI: 10.1111/j.1365-2966.2011.19522.x

  7. Modeling loop backbone flexibility in receptor-ligand docking simulations

    Journal of Computational Chemistry

    Volume 33, Issue 31, 5 December 2012, Pages: 2504–2515, Johannes Flick, Frank Tristram and Wolfgang Wenzel

    Article first published online : 9 AUG 2012, DOI: 10.1002/jcc.23087

  8. Molecular dynamics study of DNA binding by INT-DBD under a polarized force field

    Journal of Computational Chemistry

    Volume 34, Issue 13, 15 May 2013, Pages: 1136–1142, Xue X. Yao, Chang G. Ji, Dai Q. Xie and John Z.H. Zhang

    Article first published online : 5 FEB 2013, DOI: 10.1002/jcc.23244

  9. Advanced techniques for constrained internal coordinate molecular dynamics

    Journal of Computational Chemistry

    Volume 34, Issue 11, 30 April 2013, Pages: 904–914, Jeffrey R. Wagner, Gouthaman S. Balaraman, Michiel J. M. Niesen, Adrien B. Larsen, Abhinandan Jain and Nagarajan Vaidehi

    Article first published online : 23 JAN 2013, DOI: 10.1002/jcc.23200

  10. Theoretical studies of Aum and PtAun clusters and their N2 and O2 adsorption complexes

    International Journal of Quantum Chemistry

    Volume 112, Issue 1, January 2012, Pages: 65–77, Ya Kun Chen, Wei Quan Tian and Yan Alexander Wang

    Article first published online : 25 AUG 2011, DOI: 10.1002/qua.23200

  11. PDECO: Parallel differential evolution for clusters optimization

    Journal of Computational Chemistry

    Volume 34, Issue 12, 5 May 2013, Pages: 1046–1059, Zhanghui Chen, Xiangwei Jiang, Jingbo Li, Shushen Li and Linwang Wang

    Article first published online : 9 MAR 2013, DOI: 10.1002/jcc.23235

  12. Has Active Immunization Against Gonadotrophin-Releasing Hormone any Effect on Testis Innervation in the Pig? – An Immunohistochemical Study

    Anatomia, Histologia, Embryologia

    Volume 29, Issue 4, August 2000, Pages: 247–254, W. Sienkiewicz, G. J. Molenaar, J. Kaleczyc, J. Falkowski and M. Lakomy

    Article first published online : 9 OCT 2008, DOI: 10.1046/j.1439-0264.2000.00272.x

  13. Linearity condition for orbital energies in density functional theory (III): Benchmark of total energies

    Journal of Computational Chemistry

    Volume 34, Issue 14, 30 May 2013, Pages: 1218–1225, Yutaka Imamura, Rie Kobayashi and Hiromi Nakai

    Article first published online : 13 FEB 2013, DOI: 10.1002/jcc.23243

  14. Bis-μ-oxo and μ-η22-peroxo dicopper complexes studied within (time-dependent) density-functional and many-body perturbation theory

    Journal of Computational Chemistry

    Volume 34, Issue 12, 5 May 2013, Pages: 1035–1045, M. Rohrmüller, S. Herres-Pawlis, M. Witte and W. G. Schmidt

    Article first published online : 8 JAN 2013, DOI: 10.1002/jcc.23230

  15. Which density functional is close to CCSD accuracy to describe geometry and interaction energy of small noncovalent dimers? A benchmark study using Gaussian09

    Journal of Computational Chemistry

    Volume 34, Issue 15, 5 June 2013, Pages: 1341–1353, Karunakaran Remya and Cherumuttathu H. Suresh

    Article first published online : 1 MAR 2013, DOI: 10.1002/jcc.23263

  16. Search of truncation of (N−1) electron basis containing full connected triple excitations in computing main and satellite ionization potentials via Fock-space coupled cluster approach

    Journal of Computational Chemistry

    Volume 34, Issue 15, 5 June 2013, Pages: 1291–1310, Kalipada Adhikari, Sudip Chattopadhyay, Barin Kumar De, Amitava Sharma, Ranendu Kumar Nath and Dhiman Sinha

    Article first published online : 9 MAR 2013, DOI: 10.1002/jcc.23255

  17. The early dynamical evolution of cool, clumpy star clusters

    Monthly Notices of the Royal Astronomical Society

    Volume 407, Issue 2, September 2010, Pages: 1098–1107, Richard J. Allison, Simon P. Goodwin, Richard J. Parker, Simon F. Portegies Zwart and Richard de Grijs

    Article first published online : 17 AUG 2010, DOI: 10.1111/j.1365-2966.2010.16939.x

  18. You have free access to this content
    Inside Cover, Volume 34, Issue 11

    Journal of Computational Chemistry

    Volume 34, Issue 11, 30 April 2013, Pages: iii–iv,

    Article first published online : 20 MAR 2013, DOI: 10.1002/jcc.23290

  19. You have free access to this content
    Inside Cover, Volume 34, Issue 7

    Journal of Computational Chemistry

    Volume 34, Issue 7, 15 March 2013, Pages: iii–iv,

    Article first published online : 12 FEB 2013, DOI: 10.1002/jcc.23261

  20. You have free access to this content
    Cover Image, Volume 34, Issue 4

    Journal of Computational Chemistry

    Volume 34, Issue 4, 5 February 2013, Pages: i–ii,

    Article first published online : 15 JAN 2013, DOI: 10.1002/jcc.23232