Advances in methods and algorithms in a modern quantum chemistry program package (English)
- New search for: Shao, Yihan
- New search for: Shao, Yihan
- New search for: Molnar, Laszlo Fusti
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- New search for: Levchenko, Sergey V.
- New search for: O'Neill, Darragh P.
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In:
Physical chemistry, chemical physics
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8
, 27
; 3172
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2006
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ISSN:
- Article (Journal) / Print
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Title:Advances in methods and algorithms in a modern quantum chemistry program package
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Contributors:
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Published in:Physical chemistry, chemical physics ; 8, 27 ; 3172
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Publisher:
- New search for: The Royal Soc. of Chemistry
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Place of publication:Cambridge
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Publication date:2006
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ISSN:
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ZDBID:
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Type of media:Article (Journal)
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Type of material:Print
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Language:English
- New search for: 35.10
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Source:
Table of contents – Volume 8, Issue 27
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 3153
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Front cover| 2006
- 3155
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Contents| 2006
- 3161
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Looking at long molecules in solution: what happens when they are subjected to Couette flow?Rodger, Alison / Marrington, Rachel / Geeves, Michael A. / Hicks, Matthew / de Alwis, Lahari / Halsall, David J. / Dafforn, Timothy R. et al. | 2006
- 3172
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Advances in methods and algorithms in a modern quantum chemistry program packageShao, Yihan / Molnar, Laszlo Fusti / Jung, Yousung / Kussmann, Jörg / Ochsenfeld, Christian / Brown, Shawn T. / Gilbert, Andrew T.B. / Slipchenko, Lyudmila V. / Levchenko, Sergey V. / O’Neill, Darragh P. et al. | 2006
- 3192
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Evidence for laser-induced formation of solvated electrons in room temperature ionic liquidsChandrasekhar, N. / Endres, F. / Unterreiner, A.-N. et al. | 2006
- 3197
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Evaluation of models for the low temperature combustion of alkanes through interpretation of pressure–temperature ignition diagramsHughes, Kevin J. / Griffiths, John F. / Fairweather, Michael / Tomlin, Alison S. et al. | 2006
- 3211
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Experimental and theoretical study of the reaction of OH radical with sabineneCarrasco, N. / Rayez, M. T. / Rayez, J. C. / Doussin, J. F. et al. | 2006
- 3218
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Interface identification by non-local autoionization transitionsBarth, Silko / Marburger, Simon / Joshi, Sanjeev / Ulrich, Volker / Kugeler, Oliver / Hergenhahn, Uwe et al. | 2006
- 3223
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Enthalpy and interfacial free energy changes of water capillary condensed in mesoporous silica, MCM-41 and SBA-15Kittaka, Shigeharu / Ishimaru, Shinji / Kuranishi, Miki / Matsuda, Tomoko / Yamaguchi, Toshio et al. | 2006
- 3232
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ATR-FTIR measurements and quantum chemical calculations concerning the adsorption and photoreaction of oxalic acid on TiO2Mendive, Cecilia B. / Bredow, Thoma / Blesa, Miguel A. / Bahnemann, Detlef W. et al. | 2006
- 3248
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Analysis of in situ EXAFS data of supported metal catalysts using the third and fourth cumulantBus, Eveline / Miller, Jeffrey T. / Kropf, A. Jeremy / Prins, Roel / van Bokhoven, Jeroen A. et al. | 2006
- 3259
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Back cover| 2006