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Fedor Y. Naumkin "Trapped-molecule charge-transfer complexes with huge dipoles: M-C(2)F(6)-X (M = Na to Cs, X = Cl to I)", Phys. Chem. Chem. Phys., Vol. 10 (2008), Pages 6986-6990
Fedor Y. Naumkin "Towards gold shells shaped by carbon cores: From a gold cage to a core-shell aurocarbon", Chemical Physics Letters, Vol. 466, Issues 1-2 (2008), Pages 44-49
Ausra Vektariene and Gytis Vektarisb "Quantum chemical study of the thiiranium ion intermediates and regioselectivity features of the halogenide addition" ARKIVOC 2006 (xvi) 23-34
Sumio TOKITA, Takao SUGIYAMA, Fumio NOGUCHI, Hidehiko FUJII and Hidehiko KOBAYASHI "An Attempt to Construct an Isosurface Having Symmetry Elements", Journal of Computer Chemistry, Japan, Vol. 5, No. 3 (2006)
S. A. Grabovskiy, Q. K. Timerghazin and N. N. Kabal'novaa "Oxidation of ethers with dimethyldioxirane", Russian Chemical Bulletin, International Edition, Vol. 54, No. 10, pp. 2384-2393
Andrew B. Ryzhkov and Parisa A. Ariya "The importance of water clusters (H2O)n (n = 2, : , 4) in the reaction of Criegee intermediate with water in the atmosphere" Chemical Physics Letters, Volume 419, Issues 4-6, Pages 479-485
Joel K. Weltman, Gail Skowron, and George B. Loriot, "The HF-SCF energy of HIV-1 MNgp120 V3 hairpin loop conformers", Journal of Molecular Modeling, 2004, published online
A. Ryzhkov, P.A. Ariya., "A theoretical study of the reactions of parent and substituted Criegee intermediates with water and the water dimer", Phys. Chem. Chem. Phys., 2004, 6 (21), 5042-5050
N. Marchand-Geneste and A.J.M. Carpy, "e-Quantum chemistry free resources", SAR and QSAR in Environmental Research, 2004, 15(1), 43-54
Ausra Vektariene and Gytis Vektaris, "Quantum chemical estimation of reactivity of 2,3,4,5-tetrahydro-1,5-benzodiazepin-2(1H)-ones in electrophilic aromatic substitution", Heteroatom Chemistry, 2004, 15(3), 263 - 270
Alain Carpy "Free Web-based applications and services for molecular modeling : a review", Second Indo-French Bioinformatics Meeting, Université de La Réunion, 10-12 December (2004).
Qadir K. Timerghazin and Gilles H. Peslherbe "Further Insight into the Relaxation Dynamics of Photoexcited I-(H2O)n Clusters", J. Am. Chem. Soc., 2003, 125(33), 9904 - 9905
Joel K. Weltman and George B. Loriot, "Molecular modeling of penicilloate anions: an RHF-SCF analysis", Journal of Molecular Modeling, 2003, 9(4), 225-229
A.J.M. Carpy, "WWW small molecule modeling", SAR and QSAR in Environmental Research, 2002, 13(3-4), 403-408
