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Academic literature on the topic 'Structure électronique ab initio'
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Journal articles on the topic "Structure électronique ab initio"
Poumbga, CN, and M. Bénard. "Structure électronique du complexe CrV(C5H5)2C8H8 : une étude théorique ab initio Cl(INO)." Journal de Chimie Physique 90 (1993): 15–26. http://dx.doi.org/10.1051/jcp/1993900015.
Full textHardin, Corey, Taras V. Pogorelov, and Zaida Luthey-Schulten. "Ab initio protein structure prediction." Current Opinion in Structural Biology 12, no. 2 (2002): 176–81. http://dx.doi.org/10.1016/s0959-440x(02)00306-8.
Full textDerreumaux, Philippe. "Ab initio polypeptide structure prediction." Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta) 104, no. 1 (2000): 1–6. http://dx.doi.org/10.1007/s002149900095.
Full textSimons, Jack, and Kenneth D. Jordan. "Ab initio electronic structure of anions." Chemical Reviews 87, no. 3 (1987): 535–55. http://dx.doi.org/10.1021/cr00079a004.
Full textXu, Qiang, T. Klimczuk, Ton Gortenmulder, et al. "Ab initio Structure Determination of Mg10Ir19B16." Chemistry of Materials 21, no. 12 (2009): 2499–507. http://dx.doi.org/10.1021/cm9005458.
Full textChambrier, M.-H., S. Kodjikian, R. M. Ibberson та F. Goutenoire. "Ab-initio structure determination of β-La2WO6". Journal of Solid State Chemistry 182, № 2 (2009): 209–14. http://dx.doi.org/10.1016/j.jssc.2008.09.010.
Full textKwabia Tchana, F., J. Orphal, I. Kleiner, et al. "Experimental and ab initio structure of BrN02." Molecular Physics 102, no. 14-15 (2004): 1509–21. http://dx.doi.org/10.1080/00268970410001725828.
Full textTivol, W. F., J. N. Turner, and D. L. Dorset. "Ab initio structure analysis of copper perbromophthalocyanine." Proceedings, annual meeting, Electron Microscopy Society of America 50, no. 2 (1992): 1446–47. http://dx.doi.org/10.1017/s0424820100131863.
Full textSygula, Andrzej, and Peter W. Rabideau. "Structure of dilithiobenzenide: an ab initio study." Journal of the American Chemical Society 113, no. 20 (1991): 7797–99. http://dx.doi.org/10.1021/ja00020a071.
Full textDerreumaux, Philippe. "ChemInform Abstract: Ab initio Polypeptide Structure Prediction." ChemInform 31, no. 49 (2000): no. http://dx.doi.org/10.1002/chin.200049293.
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