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Masamura, Masao, Ikuta, Shigeru (1999) Ab initio molecular orbital study on structures and energetics of CH3O?(H2O)n and CH3S?(H2O)n in gas phase. Journal of Computational Chemistry, 20 (11). 1138-1144 doi:10.1002/(sici)1096-987x(199908)20:11<1138::aid-jcc4>3.0.co;2-d

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Reference TypeJournal (article/letter/editorial)
TitleAb initio molecular orbital study on structures and energetics of CH3O?(H2O)n and CH3S?(H2O)n in gas phase
JournalJournal of Computational Chemistry
AuthorsMasamura, MasaoAuthor
Ikuta, ShigeruAuthor
Year1999 (August)Volume20
Issue11
PublisherWiley
DOIdoi:10.1002/(sici)1096-987x(199908)20:11<1138::aid-jcc4>3.0.co;2-dSearch in ResearchGate
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Mindat Ref. ID3147149Long-form Identifiermindat:1:5:3147149:1
GUID0
Full ReferenceMasamura, Masao, Ikuta, Shigeru (1999) Ab initio molecular orbital study on structures and energetics of CH3O?(H2O)n and CH3S?(H2O)n in gas phase. Journal of Computational Chemistry, 20 (11). 1138-1144 doi:10.1002/(sici)1096-987x(199908)20:11<1138::aid-jcc4>3.0.co;2-d
Plain TextMasamura, Masao, Ikuta, Shigeru (1999) Ab initio molecular orbital study on structures and energetics of CH3O?(H2O)n and CH3S?(H2O)n in gas phase. Journal of Computational Chemistry, 20 (11). 1138-1144 doi:10.1002/(sici)1096-987x(199908)20:113.0.co;2-d
In(1999, August) Journal of Computational Chemistry Vol. 20 (11) Wiley

See Also

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Masamura, Masao (2001) Ab initio molecular orbital study on the structures and energetics of CH3OH(H2O)n and CH3SH(H2O)n in the gas phase. Journal of Computational Chemistry, 22 (1). 125-131 doi:10.1002/1096-987x(20010115)22:1<125::aid-jcc12>3.0.co;2-0
Masamura, Masao (2001) Ab initio molecular orbital study of OH?(H2O)n in the gas phase. Journal of Computational Chemistry, 22 (1). 31-37 doi:10.1002/1096-987x(20010115)22:1<31::aid-jcc4>3.0.co;2-e
Cruz Hern�ndez, Norge, Sanz, Javier Fdez. (1999) Ab initio compact group model potentials for describing environment effects in cluster calculations. Journal of Computational Chemistry, 20 (11). 1145-1152 doi:10.1002/(sici)1096-987x(199908)20:11<1145::aid-jcc5>3.0.co;2-i
Rega, Nadia, Cossi, Maurizio, Barone, Vincenzo (1999) Improving performance of polarizable continuum model for study of large molecules in solution. Journal of Computational Chemistry, 20 (11). 1186-1198 doi:10.1002/(sici)1096-987x(199908)20:11<1186::aid-jcc9>3.0.co;2-#
Masamura, M. (2001) Ab initio molecular orbital study of OH−(H2O)n and SH−(H2O)n in the gas phase. Chemical Physics Letters, 339. 279-289 doi:10.1016/s0009-2614(01)00262-7
Anglada, Josep Maria, Besal�, Emili, Bofill, Josep Maria, Crehuet, Ramon (1999) Prediction of approximate transition states by Bell-Evans-Polanyi principle: II. Gas phase unimolecular decomposition of methyldioxirane. Journal of Computational Chemistry, 20 (11). 1130-1137 doi:10.1002/(sici)1096-987x(199908)20:11<1130::aid-jcc3>3.0.co;2-3
L�pez, R., Del R�o, E., Men�ndez, M. I., Sordo, T. L. (1999) Ab initio study of the reaction of CHO+ with H2O and NH3. Journal of Computational Chemistry, 20 (13). 1432-1443 doi:10.1002/(sici)1096-987x(199910)20:13<1432::aid-jcc10>3.0.co;2-o
Masamura, M. (2002) Structures, energetics, and spectra of OH−(H2O)n and SH−(H2O)n clusters, n=1–5: Ab initio study. The Journal of Chemical Physics, 117 (11). 5257-5263 doi:10.1063/1.1499485
Anglada, Josep Maria, Besal�, Emili, Bofill, Josep Maria, Crehuet, Ramon (1999) Prediction of approximate transition states by Bell-Evans-Polanyi principle: I. Journal of Computational Chemistry, 20 (11). 1112-1129 doi:10.1002/(sici)1096-987x(199908)20:11<1112::aid-jcc2>3.0.co;2-2
Spassov, Velin Z., Bashford, Donald (1999) Multiple-site ligand binding to flexible macromolecules: Separation of global and local conformational change and an iterative mobile clustering approach. Journal of Computational Chemistry, 20 (11). 1091-1111 doi:10.1002/(sici)1096-987x(199908)20:11<1091::aid-jcc1>3.0.co;2-3
Chiu, S. W., Clark, M. M., Jakobsson, Eric, Subramaniam, Shankar, Scott, H. Larry (1999) Application of combined Monte Carlo and molecular dynamics method to simulation of dipalmitoyl phosphatidylcholine lipid bilayer. Journal of Computational Chemistry, 20 (11). 1153-1164 doi:10.1002/(sici)1096-987x(199908)20:11<1153::aid-jcc6>3.0.co;2-k
 
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