International Journal of Quantum Chemistry

Cover image for International Journal of Quantum Chemistry

Special Issue: Proceedings from the 2nd International Theoretical Biophysics Symposium

2007

Volume 107, Issue 2

Pages 259–514

Issue edited by: Leif A. Eriksson, Nino Russo, Jesus M. Ugalde

    1. Second International Theoretical Biophysics Symposium, Örebro University, Sweden, June 28–July 1, 2005 (pages 259–260)

      Leif A. Eriksson, Nino Russo and Jesus M. Ugalde

      Article first published online: 30 AUG 2006 | DOI: 10.1002/qua.21186

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      List of participants (pages 261–264)

      Article first published online: 30 AUG 2006 | DOI: 10.1002/qua.21187

    3. Comparative study of electrostatic solvent response by RISM and PCM methods (pages 265–274)

      S. Chiodo, G. N. Chuev, S. E. Erofeeva, M. V. Fedorov, N. Russo and E. Sicilia

      Article first published online: 5 SEP 2006 | DOI: 10.1002/qua.21188

    4. Computational approach to the blood–aluminum problem? (pages 275–278)

      Christopher Exley, James Beardmore and Gordon Rugg

      Article first published online: 31 AUG 2006 | DOI: 10.1002/qua.21190

    5. Solvating, manipulating, damaging, and repairing DNA in a computer (pages 279–291)

      Juraj Bunta, Martin Dahlberg, Leif Eriksson, Nikolai Korolev, Aatto Laaksonen, Raimo Lohikoski, Alexander Lyubartsev, Miroslav Pinak and Patric Schyman

      Article first published online: 8 SEP 2006 | DOI: 10.1002/qua.21191

    6. Parameterization of AZT—A widely used nucleoside inhibitor of HIV-1 reverse transcriptase (pages 292–298)

      Alexandra T. P. Carvalho, Pedro A. Fernandes and Maria J. Ramos

      Article first published online: 5 SEP 2006 | DOI: 10.1002/qua.21192

    7. Gas phase interaction of zinc ion with purine and pyrimidine DNA and RNA bases (pages 311–317)

      T. Marino, D. Mazzuca, M. Toscano, N. Russo and A. Grand

      Article first published online: 31 AUG 2006 | DOI: 10.1002/qua.21194

  1. Russian Symposium

    1. Top of page
    2. Russian Symposium
    3. Theoretical and Computational Developments
    4. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    5. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    6. Theoretical Biochemistry and Biophysics
    1. Peculiarities of the silica surface center structure in rigid dehydroxidation conditions (pages 326–329)

      A. O. Litinsky, V. N. Perminov and G. Y. Vasiljeva

      Article first published online: 13 SEP 2006 | DOI: 10.1002/qua.21196

  2. Theoretical and Computational Developments

    1. Top of page
    2. Russian Symposium
    3. Theoretical and Computational Developments
    4. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    5. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    6. Theoretical Biochemistry and Biophysics
    1. Resistance distance and Kirchhoff index in circulant graphs (pages 330–339)

      Heping Zhang and Yujun Yang

      Article first published online: 5 SEP 2006 | DOI: 10.1002/qua.21068

    2. Nonrigid group theory for 1,3,5-trimethylbenzene (pages 340–344)

      Mohammad Reza Darafsheh, Arash Darafsheh and Ali Reza Ashrafi

      Article first published online: 5 SEP 2006 | DOI: 10.1002/qua.21086

    3. Rovibrationally averaged properties of H2 using Monte Carlo methods (pages 345–352)

      S. A. Alexander and R. L. Coldwell

      Article first published online: 13 SEP 2006 | DOI: 10.1002/qua.21130

    4. Bound D-states of helium atom under Debye screening (pages 353–358)

      Sabyasachi Kar and Y. K. Ho

      Article first published online: 13 SEP 2006 | DOI: 10.1002/qua.21104

    5. Theoretical study of the reaction of alkynes with furan catalyzed by AuCl3 and AuCl (pages 359–365)

      Hassan Rabaâ, Bernd Engels, Thomas Hupp and A. Stephen K. Hashmi

      Article first published online: 5 SEP 2006 | DOI: 10.1002/qua.21063

    6. Hidden symmetries and thermodynamic properties for a harmonic oscillator plus an inverse square potential (pages 366–371)

      Shi-Hai Dong, M. Lozada-Cassou, Jiang Yu, Felipe Jiménez-Ángeles and A. L. Rivera

      Article first published online: 13 SEP 2006 | DOI: 10.1002/qua.21103

  3. Properties, Dynamics, and Electronic Structure of Atoms and Molecules

    1. Top of page
    2. Russian Symposium
    3. Theoretical and Computational Developments
    4. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    5. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    6. Theoretical Biochemistry and Biophysics
    1. Electron transport in Nano-Gold–Silicon interfaces (pages 440–450)

      Liuming Yan and Jorge M. Seminario

      Article first published online: 5 SEP 2006 | DOI: 10.1002/qua.21074

    2. Finite element investigation of the ground states of the helium trimers 4He3 and 4He23He (pages 464–468)

      Moses Salci, Evgeny Yarevsky, Sergey B. Levin and Nils Elander

      Article first published online: 5 SEP 2006 | DOI: 10.1002/qua.21095

  4. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters

    1. Top of page
    2. Russian Symposium
    3. Theoretical and Computational Developments
    4. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    5. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    6. Theoretical Biochemistry and Biophysics
    1. Experimental and theoretical IR, Raman, NMR spectra of 2-, 3-, and 4-nitrobenzoic acids (pages 480–494)

      M. Samsonowicz, R. Świsłocka, E. Regulska and W. Lewandowski

      Article first published online: 5 SEP 2006 | DOI: 10.1002/qua.21085

  5. Theoretical Biochemistry and Biophysics

    1. Top of page
    2. Russian Symposium
    3. Theoretical and Computational Developments
    4. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    5. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    6. Theoretical Biochemistry and Biophysics
    1. Single-electron halogen bond: Ab initio study (pages 501–506)

      Yan-Hua Wang, Jian-Wei Zou, Yun-Xiang Lu, Qing-Sen Yu and Hui-Ying Xu

      Article first published online: 5 SEP 2006 | DOI: 10.1002/qua.21097

    2. Theoretical study of molecular interaction between tirapazamine enzymatic catalysis metabolites and water (pages 507–514)

      Lai-Cai Li, Dong Zha, Yan Zheng, Xin Wang, An-Min Tian and Ning-Bew Wong

      Article first published online: 5 SEP 2006 | DOI: 10.1002/qua.21094

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