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There are 2160341 results for: content related to: Molecular dynamics simulation for infrared spectroscopy with intramolecular forces from electronic properties of on-the-fly quantum chemical calculations

  1. Distribution and habitat use of water frog hybrid complexes in France

    Global Ecology and Biogeography

    Volume 10, Issue 4, July 2001, Pages: 433–441, Alain Pagano, Pierre André Crochet, J.-D. Graf, Pierre Joly and Thierry Lodé

    Version of Record online : 21 DEC 2001, DOI: 10.1046/j.1466-822X.2001.00246.x

  2. Orthogonal coordinates for the dynamics of four bodies and for the representation of potentials of tetra-atomic molecules

    International Journal of Quantum Chemistry

    Volume 107, Issue 14, 2007, Pages: 2870–2888, Mirco Ragni, Ana Carla P. Bitencourt and Vincenzo Aquilanti

    Version of Record online : 26 JUL 2007, DOI: 10.1002/qua.21481

  3. r12-Dependent Wavefunctions

    Standard Article

    Encyclopedia of Computational Chemistry

    Wim Klopper

    Published Online : 15 APR 2002, DOI: 10.1002/0470845015.cra001

  4. Morphometric and DNA investigations into European water frogs (Rana kl. esculenta Synklepton (Anura, Ranidae)) from different population systems

    Journal of Zoological Systematics and Evolutionary Research

    Volume 32, Issue 3, September 1994, Pages: 193–210, J. Plötner, C. Becker and K. Plötner

    Version of Record online : 27 APR 2009, DOI: 10.1111/j.1439-0469.1994.tb00482.x

  5. Two-dimensional Optical Spectroscopy: Theory and Experiment

    Standard Article

    Encyclopedia of Analytical Chemistry

    Jonggu Jeon, Sungnam Park and Minhaeng Cho

    Published Online : 15 DEC 2010, DOI: 10.1002/9780470027318.a9117

  6. Synthesis and Structure of a Bicyclic SbNP Compound with Intramolecular Donor-Acceptor Bonding

    Angewandte Chemie International Edition in English

    Volume 22, Issue 5, May 1983, Pages: 404–405, Prof. Dr. Otto J. Scherer, Dr. Gotthelf Wolmershäuser and Herbert Conrad

    Version of Record online : 22 DEC 2003, DOI: 10.1002/anie.198304041

  7. Electronic structure and transport properties of quantum dots

    Annalen der Physik

    Volume 13, Issue 5, June 2004, Pages: 249–304, M. Tews

    Version of Record online : 17 MAY 2004, DOI: 10.1002/andp.200410076

  8. Computational Modeling of the Dissolution of Alloying Elements

    Supplemental Proceedings: Materials Processing and Interfaces, Volume 1

    Jun Ou, Aniruddha Chatterjee, Carl Reilly, Daan M. Maijer, Steve L. Cockcroft, Pages: 871–878, 2012

    Published Online : 18 MAY 2012, DOI: 10.1002/9781118356074.ch109

  9. Measuring and interpreting trait-based selection versus meta-community effects during local community assembly

    Journal of Vegetation Science

    Volume 25, Issue 1, January 2014, Pages: 55–65, Bill Shipley

    Version of Record online : 8 APR 2013, DOI: 10.1111/jvs.12077

  10. Hypervalent Compounds of Organic Germanium, Tin and Lead Derivatives

    The Chemistry of Organic Germanium, Tin and Lead Compounds, Volume 2

    Yuri I. Baukov, Stanislav N. Tandura, Pages: 963–1239, 2003

    Published Online : 5 FEB 2003, DOI: 10.1002/0470857188.ch16

  11. Functional Linear Processes

    Inference and Prediction in Large Dimensions

    Denis Bosq, Delphine Blanke, Pages: 227–259, 2007

    Published Online : 31 OCT 2007, DOI: 10.1002/9780470724033.ch10

  12. Conditional optimization: a new formalism for protein structure refinement

    Acta Crystallographica Section D

    Volume 57, Issue 12, December 2001, Pages: 1820–1828, Sjors H. W. Scheres and Piet Gros

    DOI: 10.1107/S0907444901015414

  13. Europäische Wasserfrösche (Anura, Ranidae) und biologisches Artkonzept

    Mitteilungen aus dem Museum für Naturkunde in Berlin. Zoologisches Museum und Institut für Spezielle Zoologie (Berlin)

    Volume 67, Issue 1, 1991, Pages: 39–53, Dr. sc. Rainer Günther

    Version of Record online : 19 APR 2008, DOI: 10.1002/mmnz.19910670106

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    A low-complexity resource allocation algorithm in OFDMA-based cooperative cognitive radio networks

    International Journal of Communication Systems

    Volume 30, Issue 1, 10 January 2017, Yi Tang, Lijie Wang, Haitao Zhao and Jibo Wei

    Version of Record online : 18 DEC 2014, DOI: 10.1002/dac.2916

  15. A Semiparametric Transition Model with Latent Traits for Longitudinal Multistate Data

    Biometrics

    Volume 64, Issue 4, December 2008, Pages: 1032–1042, Haiqun Lin, Zhenchao Guo, Peter N. Peduzzi, Thomas M. Gill and Heather G. Allore

    Version of Record online : 19 MAR 2008, DOI: 10.1111/j.1541-0420.2008.01011.x

  16. ChemInform Abstract: Heavier Alkaline Earth Catalyzed Ene-yne Cyclizations: Atom-Efficient Access to Tetrahydroisoquinoline Frameworks.

    ChemInform

    Volume 46, Issue 18, May, 2015, Page: no, Stephanie Reid, Anthony G. M. Barrett, Michael S. Hill and Panayiotis A. Procopiou

    Version of Record online : 16 APR 2015, DOI: 10.1002/chin.201518195

  17. An estimated-score approach for dealing with missing covariate data in matched case–control studies

    Canadian Journal of Statistics

    Volume 38, Issue 4, December 2010, Pages: 680–697, Samiran Sinha

    Version of Record online : 19 OCT 2010, DOI: 10.1002/cjs.10081

  18. Maximum of R Hydrae

    Astronomische Nachrichten

    Volume 102, Issue 21-22, 1882, Page: 350, B. A. Gould

    Version of Record online : 20 MAR 2006, DOI: 10.1002/asna.18821022105

  19. Quantum chemical investigation on the reaction mechanism of tertiary phosphines with unsaturated carboxylic acids: An insight into kinetic data

    International Journal of Quantum Chemistry

    Volume 113, Issue 8, 15 April 2013, Pages: 1086–1094, Alexey V. Salin, Roza M. Aminova and Vladimir I. Galkin

    Version of Record online : 22 MAY 2012, DOI: 10.1002/qua.24161

  20. Computational chemistry and molecular simulations of phosphoric acid

    International Journal of Quantum Chemistry

    Volume 111, Issue 12, October 2011, Pages: 3212–3229, Shuo Li, J. R. Fried, Jeremy Sauer, John Colebrook and Douglas S. Dudis

    Version of Record online : 22 SEP 2010, DOI: 10.1002/qua.22702