Search Results

There are 13745 results for: content related to: Bioindicator role of aquatic Ranunculus in Mediterranean freshwater habitats

  1. Program Fullerene: A software package for constructing and analyzing structures of regular fullerenes

    Journal of Computational Chemistry

    Volume 34, Issue 17, 30 June 2013, Pages: 1508–1526, Peter Schwerdtfeger, Lukas Wirz and James Avery

    Article first published online : 4 APR 2013, DOI: 10.1002/jcc.23278

  2. Internal-to-Cartesian back transformation of molecular geometry steps using high-order geometric derivatives

    Journal of Computational Chemistry

    Volume 34, Issue 21, 5 August 2013, Pages: 1842–1849, Vladimir V. Rybkin, Ulf Ekström and Trygve Helgaker

    Article first published online : 23 MAY 2013, DOI: 10.1002/jcc.23327

  3. Distribution of mercury and selenium in blood compartments of bottlenose dolphins (Tursiops truncatus) from Sarasota Bay, Florida

    Environmental Toxicology and Chemistry

    Volume 32, Issue 11, November 2013, Pages: 2441–2448, Lucero Correa, J. Margaret Castellini, Randall S. Wells and Todd O'Hara

    Article first published online : 10 SEP 2013, DOI: 10.1002/etc.2327

  4. Free-energy differences between states with different conformational ensembles

    Journal of Computational Chemistry

    Volume 34, Issue 16, 15 June 2013, Pages: 1398–1408, Jose Antonio Garate and Chris Oostenbrink

    Article first published online : 23 MAR 2013, DOI: 10.1002/jcc.23276

  5. Multireference calculations for ring inversion and double bond shifting in cyclooctatetraene

    Journal of Computational Chemistry

    Volume 34, Issue 16, 15 June 2013, Pages: 1393–1397, Axel Schild and Beate Paulus

    Article first published online : 18 MAR 2013, DOI: 10.1002/jcc.23273

  6. Automated discovery of chemically reasonable elementary reaction steps

    Journal of Computational Chemistry

    Volume 34, Issue 16, 15 June 2013, Pages: 1385–1392, Paul M. Zimmerman

    Article first published online : 18 MAR 2013, DOI: 10.1002/jcc.23271

  7. You have full text access to this OnlineOpen article
    JACOB: An enterprise framework for computational chemistry

    Journal of Computational Chemistry

    Volume 34, Issue 16, 15 June 2013, Pages: 1420–1428, Mark P. Waller, Thomas Dresselhaus and Jack Yang

    Article first published online : 3 APR 2013, DOI: 10.1002/jcc.23272

  8. Computation of magnetic circular dichroism by sum-over-states summations

    Journal of Computational Chemistry

    Volume 34, Issue 18, 5 July 2013, Pages: 1531–1539, Petr Štěpánek and Petr Bouř

    Article first published online : 23 MAR 2013, DOI: 10.1002/jcc.23277

  9. Photodeactivation paths in norbornadiene

    Journal of Computational Chemistry

    Volume 34, Issue 17, 30 June 2013, Pages: 1439–1445, Ivana Antol

    Article first published online : 3 APR 2013, DOI: 10.1002/jcc.23270

  10. Two-dimensional replica-exchange method for predicting protein–ligand binding structures

    Journal of Computational Chemistry

    Volume 34, Issue 30, 15 November 2013, Pages: 2601–2614, Hironori Kokubo, Toshimasa Tanaka and Yuko Okamoto

    Article first published online : 4 SEP 2013, DOI: 10.1002/jcc.23427

  11. You have full text access to this OnlineOpen article
    Modeling biophysical and biological properties from the characteristics of the molecular electron density, electron localization and delocalization matrices, and the electrostatic potential

    Journal of Computational Chemistry

    Volume 35, Issue 16, 15 June 2014, Pages: 1165–1198, Chérif F. Matta

    Article first published online : 28 APR 2014, DOI: 10.1002/jcc.23608

  12. First principle and ReaxFF molecular dynamics investigations of formaldehyde dissociation on Fe(100) surface

    Journal of Computational Chemistry

    Volume 34, Issue 23, 5 September 2013, Pages: 1982–1996, Takahiro Yamada, Donald K. Phelps and Adri C. T. van Duin

    Article first published online : 26 JUN 2013, DOI: 10.1002/jcc.23320

  13. Is the DPT tautomerization of the long A·G Watson–Crick DNA base mispair a source of the adenine and guanine mutagenic tautomers? A QM and QTAIM response to the biologically important question

    Journal of Computational Chemistry

    Volume 35, Issue 6, 5 March 2014, Pages: 451–466, Ol'ha O. Brovarets', Roman O. Zhurakivsky and Dmytro M. Hovorun

    Article first published online : 30 DEC 2013, DOI: 10.1002/jcc.23515

  14. Population structure of short-finned pilot whales in the oceanic archipelago of Madeira based on photo-identification and genetic analyses: implications for conservation

    Aquatic Conservation: Marine and Freshwater Ecosystems

    Volume 23, Issue 5, October 2013, Pages: 758–776, Filipe Alves, Sophie Quérouil, Ana Dinis, Cátia Nicolau, Cláudia Ribeiro, Luís Freitas, Manfred Kaufmann and Caterina Fortuna

    Article first published online : 4 MAR 2013, DOI: 10.1002/aqc.2332

  15. Computational design of S-nitrosothiol “click” reactions

    Journal of Computational Chemistry

    Volume 34, Issue 18, 5 July 2013, Pages: 1527–1530, Marat R. Talipov, Dmitry G. Khomyakov, Ming Xian and Qadir K. Timerghazin

    Article first published online : 3 APR 2013, DOI: 10.1002/jcc.23279

  16. A survey of the parallel performance and accuracy of Poisson solvers for electronic structure calculations

    Journal of Computational Chemistry

    Volume 35, Issue 6, 5 March 2014, Pages: 427–444, Pablo García-Risueño, Joseba Alberdi-Rodriguez, Micael J. T. Oliveira, Xavier Andrade, Michael Pippig, Javier Muguerza, Agustin Arruabarrena and Angel Rubio

    Article first published online : 19 NOV 2013, DOI: 10.1002/jcc.23487

  17. Multiscale geometric modeling of macromolecules II: Lagrangian representation

    Journal of Computational Chemistry

    Volume 34, Issue 24, 15 September 2013, Pages: 2100–2120, Xin Feng, Kelin Xia, Zhan Chen, Yiying Tong and Guo-Wei Wei

    Article first published online : 29 JUN 2013, DOI: 10.1002/jcc.23364

    Corrected by:

    Erratum: Erratum

    Article first published online: 12 OCT 2013

  18. Ab initio path-integral calculations of kinetic and equilibrium isotope effects on base-catalyzed RNA transphosphorylation models

    Journal of Computational Chemistry

    Volume 35, Issue 17, 30 June 2014, Pages: 1302–1316, Kin-Yiu Wong, Yuqing Xu and Darrin M. York

    Article first published online : 20 MAY 2014, DOI: 10.1002/jcc.23628

  19. Diversity order analysis of orthogonal space–time block coding over keyhole fading channels with antenna selection

    International Journal of Communication Systems

    Volume 26, Issue 12, December 2013, Pages: 1636–1642, Liang Yang

    Article first published online : 20 FEB 2012, DOI: 10.1002/dac.2327

  20. Multiobjective evolutionary algorithm with many tables for purely ab initio protein structure prediction

    Journal of Computational Chemistry

    Volume 34, Issue 20, 30 July 2013, Pages: 1719–1734, Christiane Regina Soares Brasil, Alexandre Claudio Botazzo Delbem and Fernando Luís Barroso da Silva

    Article first published online : 11 MAY 2013, DOI: 10.1002/jcc.23315