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(2009, July) Journal of Computational Chemistry Vol. 30 (9) Wiley

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Reference TypeJournal (issue)
JournalJournal of Computational Chemistry
Year2009 (July)Volume30
Issue<   9   >
PublisherWiley
Mindat Ref. ID3149589Long-form Identifiermindat:1:5:3149589:9
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Full Reference(2009, July) Journal of Computational Chemistry Vol. 30 (9) Wiley
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Contains

(2009) Journal of Computational Chemistry, 30 (9). Wiley. doi:10.1002/jcc.v30:9
Yan, Liuming, Shao, Changle, Ji, Xiaobo (2009) Evaluation of electroosmotic drag coefficient of water in hydrated sodium perfluorosulfonate electrolyte polymer. Journal of Computational Chemistry, 30 (9). 1361-1370 doi:10.1002/jcc.21157
Fuhrmann, Jan, Rurainski, Alexander, Lenhof, Hans-Peter, Neumann, Dirk (2009) A new method for the gradient-based optimization of molecular complexes. Journal of Computational Chemistry, 30 (9). 1371-1378 doi:10.1002/jcc.21159
Volkov, Anatoliy, Koritsanszky, Tibor, Chodkiewicz, Michal, King, Harry F. (2009) On the basis-set dependence of local and integrated electron density properties: Application of a new computer program for quantum-chemical density analysis. Journal of Computational Chemistry, 30 (9). 1379-1391 doi:10.1002/jcc.21160
Suresh, Cherumuttathu H., Mohan, Neetha, Vijayalakshmi, K. Periya, George, Renjumon, Mathew, Janice M. (2009) Typical aromatic noncovalent interactions in proteins: A theoretical study using phenylalanine. Journal of Computational Chemistry, 30 (9). 1392-1404 doi:10.1002/jcc.21162
Barman, Arghya, Taves, Woody, Prabhakar, Rajeev (2009) Insights into the mechanism of methionine oxidation catalyzed by metal (Cu2+, Zn2+, and Fe3+)-Amyloid beta (Aβ) peptide complexes: A computational study. Journal of Computational Chemistry, 30 (9). 1405-1413 doi:10.1002/jcc.21167
Xiao, Xuan, Wang, Pu, Chou, Kuo-Chen (2009) GPCR-CA: A cellular automaton image approach for predicting G-protein-coupled receptor functional classes. Journal of Computational Chemistry, 30 (9). 1414-1423 doi:10.1002/jcc.21163
Wu, Jianming, Xu, Xin (2009) Accurate prediction of heats of formation by a combined method of B3LYP and neural network correction. Journal of Computational Chemistry, 30 (9). 1424-1444 doi:10.1002/jcc.21164
Kristyan, Sandor (2009) Interesting properties of Thomas-Fermi kinetic and Parr electron-electron-repulsion DFT energy functional generated compact one-electron density approximation for ground-state electronic energy of molecular systems. Journal of Computational Chemistry, 30 (9). 1445-1453 doi:10.1002/jcc.21161
Schwöbel, Johannes, Ebert, Ralf-Uwe, Kühne, Ralph, Schüürmann, Gerrit (2009) Modeling the H bond donor strength of OH, NH, and CH sites by local molecular parameters. Journal of Computational Chemistry, 30 (9). 1454-1464 doi:10.1002/jcc.21166
Iori, F., Di Felice, R., Molinari, E., Corni, S. (2009) GolP: An atomistic force-field to describe the interaction of proteins with Au(111) surfaces in water. Journal of Computational Chemistry, 30 (9). 1465-1476 doi:10.1002/jcc.21165
Ramírez-Anguita, Juan M., González-Lafont, Àngels, Lluch, José M. (2009) Formation pathways of DMSO2in the addition channel of the OH-initiated DMS oxidation: A theoretical study. Journal of Computational Chemistry, 30 (9). 1477-1489 doi:10.1002/jcc.21168
Nilsson, Lennart (2009) Efficient table lookup without inverse square roots for calculation of pair wise atomic interactions in classical simulations. Journal of Computational Chemistry, 30 (9). 1490-1498 doi:10.1002/jcc.21169
Rurainski, Alexander, Hildebrandt, Andreas, Lenhof, Hans-Peter (2009) A consensus line search algorithm for molecular potential energy functions. Journal of Computational Chemistry, 30 (9). 1499-1509 doi:10.1002/jcc.21175
Concu, Riccardo, Podda, Gianni, Uriarte, Eugenio, González-Díaz, Humberto (2009) Computational chemistry study of 3D-structure-function relationships for enzymes based on Markov models for protein electrostatic, HINT, and van der Waals potentials. Journal of Computational Chemistry, 30 (9). 1510-1520 doi:10.1002/jcc.21170
Wang, Meiyan, Cheng, Lin, Hong, Bo, Wu, Zhijian (2009) Reaction mechanism of palladium-catalyzed silastannation of allenes by density functional theory. Journal of Computational Chemistry, 30 (9). 1521-1531 doi:10.1002/jcc.21176
Shien, Dray-Ming, Lee, Tzong-Yi, Chang, Wen-Chi, Hsu, Justin Bo-Kai, Horng, Jorng-Tzong, Hsu, Po-Chiang, Wang, Ting-Yuan, Huang, Hsien-Da (2009) Incorporating structural characteristics for identification of protein methylation sites. Journal of Computational Chemistry, 30 (9). 1532-1543 doi:10.1002/jcc.21232

See Also

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