Articles dans des revues avec comité de lecture (96)
  1. 1. De Mare, G., & Bock, C. (2018). Energies of selected conformers/rotamers of the unsubstituted linear polyenes C2 nH2 n +2: Results at the B3LYP/6-311++G(d,p) (n = 2–14) and MP2(FC)/aug-cc-pVDZ (n = 2–7) computational levels. Chemical Data Collections, 15-16, 97-106. doi:10.1016/j.cdc.2018.04.005
  2. 2. De Mare, G., Rao, N. N., & Bock, C. C. (2017). The structure and C[dbnd]C vibrational frequencies of the all-trans polyenes C2 nH2 n +2(n = 2 − 15), C2 nH2 n(Me)2(n = 2 – 13), and C2 nH2 n(tert-Butyl)2(n = 2 – 5): Computational results. Chemical Data Collections, 11-12, 25-35. doi:10.1016/j.cdc.2017.07.005
  3. 3. Panchenko, Y., Bock, C. C., De Mare, G., & Abramenkov, A. (2013). Structural and vibrational analyses of t,C,t,T,t,T,t-deca-1,3,5,7,9- pentaene. Vibrational spectroscopy, 65, 159-164. doi:10.1016/j.vibspec.2012.12.006
  4. 4. Panchenko, Y., Bock, C., Larkin, J. J., Abramenkov, A., De Mare, G., & Banaru, A. A. (2011). Infrared spectral identification of the high-energy conformer of gauche,Trans,trans,Trans,gauche-octa-1,3,5,7-tetraene. Russian Journal of Physical Chemistry, 85(12), 2156-2164. doi:10.1134/S0036024411120259
  5. 5. de Meijere, A., Sokolov, V. V., Yufit, D. S., Panchenko, Y., De Mare, G., Abramenkov, A., Lokshin, B. V., & Senyavin, V. M. (2010). Vibrational spectra and ab initio analysis of tert-butyl, trimethylsilyl, trimethylgermyl, trimethylstannyl and trimethylplumbyl derivatives of 3,3-dimethylcyclopropene. XII. 1,2-Di-tert-butyl-3,3-dimethylcyclopropene. Spectrochimica acta. Part A: Molecular and biomolecular spectroscopy, 75(4), 1253-1260. doi:10.1016/j.saa.2009.12.038
  6. 6. Panchenko, Y., Abramenkov, A., & De Mare, G. (2009). Vibrational spectra and ab initio analysis of tert-butyl, trimethylsilyl, trimethylgermyl, trimethylstannyl and trimethylplumbyl derivatives of 3,3-dimethylcyclopropene. XI. Secondary periodicity. Spectrochimica acta. Part A: Molecular and biomolecular spectroscopy, 73(4), 782-786. doi:10.1016/j.saa.2009.03.029
  7. 7. Moussaoui, Y., & De Mare, G. (2009). Ab initio study of the reactions: Ethylene → H + vinyl, propylene → methyl + vinyl, and propylene → H + propen-2-yl. Journal of molecular structure. Theochem, 904(1-3), 43-48. doi:10.1016/j.theochem.2009.02.028
  8. 8. Panchenko, Y., & De Mare, G. (2008). Vibrational analysis of buta-1,3-diene and its deutero and 13C derivatives and some of their rotational isomers. Journal of structural chemistry, 49(2), 235-244. doi:10.1007/s10947-008-0119-z
  9. 9. Panchenko, Y., De Mare, G., Pupyshev, V., & Abramenkov, A. (2007). Vibrational spectra and ab initio analysis of tert-butyl, trimethylsilyl, trimethylgermyl, trimethylstannyl, and trimethylplumbyl derivatives of 3,3-dimethylcyclopropene. X. Some regularities. Spectrochimica acta. Part A: Molecular and biomolecular spectroscopy, 68(5), 1334-1339. doi:10.1016/j.saa.2007.02.013
  10. 10. De Mare, G., Panchenko, Y., & Abramenkov, A. (2007). Vibrational spectra and ab initio analysis of tert-butyl, trimethylsilyl, trimethylgermyl, trimethylstannyl, and trimethylplumbyl derivatives of 3,3-dimethylcyclopropene. IX. 3,3-Dimethyl-1-(trimethylplumbyl)cyclopropene. Spectrochimica acta. Part A: Molecular and biomolecular spectroscopy, 67(3-4), 1094-1100. doi:10.1016/j.saa.2006.09.029
  11. 11. Panchenko, Y., De Mare, G., Abramenkov, A., & de Meijere, A. (2006). Vibrational spectra and ab initio analysis of tert-butyl, trimethylsilyl, trimethylgermyl, and trimethylstannyl derivatives of 3,3-dimethylcyclopropene. VIII. 3,3-Dimethyl-1,2-bis-(trimethylstannyl)cyclopropene. Spectrochimica acta. Part A: Molecular and biomolecular spectroscopy, 65(3-4), 575-583. doi:10.1016/j.saa.2005.12.014
  12. 12. Panchenko, Y., De Mare, G., Abramenkov, A., & de Meijere, A. (2006). Vibrational spectra and ab initio analysis of tert-butyl, trimethylsilyl, trimethylgermyl, and trimethylstannyl derivatives of 3,3-dimethylcyclopropene. VII. 3,3-Dimethyl-1-(trimethylstannyl) cyclopropene. Spectrochimica acta. Part A: Molecular and biomolecular spectroscopy, 65(2), 351-357. doi:10.1016/j.saa.2005.11.010
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