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(2006, October) Journal of Computational Chemistry Vol. 27 (13) Wiley

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JournalJournal of Computational Chemistry
Year2006 (October)Volume27
Issue<   13   >
PublisherWiley
Mindat Ref. ID3148574Long-form Identifiermindat:1:5:3148574:0
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Full Reference(2006, October) Journal of Computational Chemistry Vol. 27 (13) Wiley
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Contains

(2006) Journal of Computational Chemistry, 27 (13). Wiley. doi:10.1002/jcc.v27:13
Kang, Myungshim, Smith, Paul E. (2006) A Kirkwood-Buff derived force field for amides. Journal of Computational Chemistry, 27 (13). 1477-1485 doi:10.1002/jcc.20441
Swart, Marcel, Rösler, Ernst, Bickelhaupt, F. Matthias (2006) Proton affinities of maingroup-element hydrides and noble gases: Trends across the periodic table, structural effects, and DFT validation. Journal of Computational Chemistry, 27 (13). 1486-1493 doi:10.1002/jcc.20431
Yu, Haibo, Geerke, Daan P., Liu, Haiyan, van Gunsteren, Wilfred F. (2006) Molecular dynamics simulations of liquid methanol and methanol–water mixtures with polarizable models. Journal of Computational Chemistry, 27 (13). 1494-1504 doi:10.1002/jcc.20429
Salvador, P., Asturiol, D., Mayer, I. (2006) A general efficient implementation of the BSSE-free SCF and MP2 methods based on the chemical Hamiltonian approach. Journal of Computational Chemistry, 27 (13). 1505-1516 doi:10.1002/jcc.20457
Aleksandrov, Alexey, Simonson, Thomas (2006) The tetracycline: Mg2+ complex: A molecular mechanics force field. Journal of Computational Chemistry, 27 (13). 1517-1533 doi:10.1002/jcc.20453
Herzog, Elena, Frigato, Tomaso, Helms, Volkhard, Lancaster, C. Roy D. (2006) Energy barriers of proton transfer reactions between amino acid side chain analogs and water fromab initio calculations. Journal of Computational Chemistry, 27 (13). 1534-1547 doi:10.1002/jcc.20442
Irbäck, Anders, Mohanty, Sandipan (2006) PROFASI: A Monte Carlo simulation package for protein folding and aggregation. Journal of Computational Chemistry, 27 (13). 1548-1555 doi:10.1002/jcc.20452
Ke, Yi-Yu, Chen, Yun-Chu, Lin, Thy-Hou (2006) Structure of the virus capsid protein VP1 of enterovirus 71 predicted by some homology modeling and molecular docking studies. Journal of Computational Chemistry, 27 (13). 1556-1570 doi:10.1002/jcc.20460
Xi, Zhen, Yu, Zhihong, Niu, Congwei, Ban, Shurong, Yang, Guangfu (2006) Development of a general quantum-chemical descriptor for steric effects: Density functional theory based QSAR study of herbicidal sulfonylurea analogues. Journal of Computational Chemistry, 27 (13). 1571-1576 doi:10.1002/jcc.20464
Liao, Meng-Sheng, Watts, John D., Huang, Ming-Ju (2006) Assessment of the performance of density-functional methods for calculations on iron porphyrins and related compounds. Journal of Computational Chemistry, 27 (13). 1577-1592 doi:10.1002/jcc.20458
Yang, Yuedong, Liu, Haiyan (2006) Genetic algorithms for protein conformation sampling and optimization in a discrete backbone dihedral angle space. Journal of Computational Chemistry, 27 (13). 1593-1602 doi:10.1002/jcc.20463
Makowski, Marcin, Korchowiec, Jacek, Gu, Feng Long, Aoki, Yuriko (2006) Efficiency and accuracy of the elongation method as applied to the electronic structures of large systems. Journal of Computational Chemistry, 27 (13). 1603-1619 doi:10.1002/jcc.20466
(2006) Matteo Ceccarelli, Piero Procacci, Massimo Marchi "Anab initio force field for the cofactors of bacterial photosynthesis,"Journal of Computational Chemistry(2003)24(2) 129-142. Journal of Computational Chemistry, 27 (13). 1620 doi:10.1002/jcc.20507
(2006) Felix Studt, Felix Tuczek, "Theoretical, spectroscopic, and mechanistic studies on transition-metal dinitrogen complexes: Implications to reactivity and relevance to the nitrogenase problem,"Journal of Computational Chemistry (2006)27(12) 1278 - 1291. Journal of Computational Chemistry, 27 (13). 1621 doi:10.1002/jcc.20508

See Also

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