Articles dans des revues avec comité de lecture (96)
  1. 25. Panchenko, Y., & De Mare, G. (2002). Philosophy of scaling the quantum mechanical molecular force field versus philosophy of solving the inverse vibrational problem. Journal of molecular structure, 611(1-3), 147-154. doi:10.1016/S0022-2860(02)00063-7
  2. 26. De Mare, G., Panchenko, Y., & Abramenkov, A. (2001). Geometric parameter variations in methyl substituted cyclopropenes. Russian Journal of Physical Chemistry, 75(11), 1804-1807.
  3. 27. Panchenko, Y., Sipachev, V., Cyvin, S., Bock, C., & De Mare, G. (2001). Mean vibrational amplitudes of 1,3-butadiene, acrolein and glyoxal. Journal of molecular structure, 567-568, 211-216. doi:10.1016/S0022-2860(01)00554-3
  4. 28. De Mare, G., Panchenko, Y., Abramenkov, A., Baird, M., Tverezovskii, V., Nizovtsev, A., & Bolesov, I. (2000). 3,3-Dimethylcyclopropene: Theoretical structure, experimental vibrational spectrum and its ab initio analysis. Russian Journal of Physical Chemistry, 74(3), 361-368.
  5. 29. Panchenko, Y., De Mare, G., Aroca, R., & Bock, C. (2000). All-trans- and t,T,t,C,t,T,t-deca-1,3,5,7,9-pentaenes: Ab initio structures, vibrational analyses, and some regularities in the series of related molecules. Structural chemistry, 11(2-3), 121-140.
  6. 30. Panchenko, Y., De Mare, G., & Stepanov, N. F. (2000). Juxtaposition of programs for the determination of scale factors for molecular quantum mechanical force fields. Russian Journal of Physical Chemistry, 74(SUPPL. 2), S245-S252.
  7. 31. De Mare, G., Panchenko, Y., & Abramenkov, A. (1999). Ab initio vibrational analysis of 3,3-dimethyl-1-butene. Russian Journal of Physical Chemistry, 73(8), 1271-1276.
  8. 32. De Mare, G., & Moussaoui, Y. (1999). Theoretical study of the nitrous acid conformers: Comparison of theoretical and experimental structures, relative energies, barrier to rotation and vibrational frequencies. International reviews in physical chemistry, 18(1), 91-117.
  9. 33. Baird, M., Spencer, K., Krasnoshchiokov, S. S., Stepanov, N. F., Panchenko, Y., & De Mare, G. (1998). Ab initio vibrational analysis of cyclopropene, its fluoro derivatives, and their deutero analogues. The Journal of Physical Chemistry. A, 102(13), 2363-2371.
  10. 34. Moussaoui, Y., Ouamerali, O., & De Mare, G. (1998). Theoretical study of the properties of the radical PS, its anion and cation. Journal of molecular structure. Theochem, 425(3), 237-247.
  11. 35. De Mare, G., Panchenko, Y., & Vander Auwera, J. (1997). Structure of the high-energy conformer of 1,3-butadiene. The Journal of Physical Chemistry. A, 101(22), 3998-4004.
  12. 36. Evleth, E. M., De Mare, G., Cao, H. Z., & Collin, G. J. (1996). Theoretical characterization of the thermodynamics of the photoisomerizations of ethylene and propylene. Journal of photochemistry and photobiology. A, Chemistry, 100(1-3), 35-41. doi:10.1016/S1010-6030(96)04448-6
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