Items where Subject is "03 CHEMICAL SCIENCES > 0307 Theoretical and Computational Chemistry > 030799 Theoretical and Computational Chemistry not elsewhere classified"

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Ali, MD Imtiaj, Schneider, Philip A., and Hudson, Neale (2005) Thermodynamic and solution chemistry of struvite. Journal of the Indian Institute of Science, 85 (3). pp. 141-149.


Bourne, Gregory T., Nielson, Jonathon L., Coughlan, Justin F., Darwen, Paul, Campitelli, Marc R., Horton, Douglas A., Rhümann, Andreas, Love, Stephen G., Tran, Tran T., and Smythe, Mark L. (2005) A convenient method for synthesis of cyclic peptide libraries. In: Howl, John, (ed.) Peptide Synthesis and Applications. Methods in Molecular Biology, 298 (298). Humana Press, Totowa, New Jersey, pp. 151-166.


Darwen, Paul J., Tran, Tran T., Bourne, Gregory T., Nielson, Jonathan L., and Smythe, Mark L. (2006) A gradient descent algorithm for minimizing amino acid coupling reactions when synthesizing cyclic-peptide libraries. Combinatorial Chemistry and High Throughput Screening, 9 (7). pp. 559-563.


Gelin, M.F., and Kosov, D.S. (2008) Doorway–window description of sequential three-pulse photon echo signals. Chemical Physics, 347 (1-3). pp. 177-184.

Gelin, M.F., and Kosov, D.S. (2007) Manifestation of nonequilibrium initial conditions in molecular rotation: the generalized J-diffusion model. Journal of Chemical Physics, 127 (14). 144511. pp. 1-13.


Sim, N., Konovalov, D., and Coomans, D. (2009) High-performance GRID computing in chemoinformatics. In: Brown, Steven, Tauler, Roma, and Walczak, Beata, (eds.) Comprehensive Chemometrics: chemical and biochemical data analysis. Elsevier, Oxford, UK, pp. 507-539.


Tanaka, Takeyuki, Oelgemöller, Michael, Fukui, Keijiro, Aoki, Fumiko, Mori, Tadashi, Ohno, Takashi, and Inoue, Yoshihisa (2007) Unusual CD couplet pattern observed for the π*←n transition of enantiopure (Z)-8-methoxy-4-cyclooctenone: an experimental and theoretical study by electronic and vibrational circular dichroism spectroscopy and density functional theory calculation. Chirality, 19 (5). pp. 415-427.

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