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Items where Person is "Nemykin-V-N"

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Nemykin, Victor N. and Hadt, Ryan G. (2010) Interpretation of the UV-vis spectra of the meso(ferrocenyl)-containing porphyrins using a TDDFT approach: is Gouterman's classic four-orbital model still in play? Journal of Physical Chemistry A, 114 (45). pp. 12062-12066. ISSN 1089-5639.

Nemykin, Victor N. and Rohde, Gregory T. and Barrett, Christopher D. et al. (2010) Long-range electronic communication in free-base meso-poly(ferrocenyl)-containing porphyrins. Inorganic Chemistry, 49 (16). pp. 7497-7509. ISSN 0020-1669.


Hadt, Ryan G. and Nemykin, Victor N. and Olsen, Joseph G. et al. (2009) Comparative calculation of EPR spectral parameters in [Mo^VOX_4]^-, [Mo^VOX_5]^(2-), and [Mo^VOX_4(H_2O)]^- complexes. Physical Chemistry Chemical Physics, 11 (44). pp. 10377-10384. ISSN 1463-9076. PMCID PMC2879133.

Nemykin, Victor N. and Rohde, Gregory T. and Barrett, Christopher D. et al. (2009) Electron-transfer processes in metal-free tetraferrocenylporphyrin. Understanding internal interactions to access mixed-valence States potentially useful for quantum cellular automata. Journal of the American Chemical Society, 131 (41). pp. 14969-14978. ISSN 0002-7863.

Hadt, Ryan G. and Nemykin, Victor N. (2009) Exploring the ground and excited state potential energy landscapes of the mixed-valence biferrocenium complex. Inorganic Chemistry, 48 (9). pp. 3982-3992. ISSN 0020-1669.


Nemykin, Victor N. and Galloni, Pierluca and Floris, Barbara et al. (2008) Metal-free and transition-metal tetraferrocenylporphyrins part 1: synthesis, characterization, electronic structure, and conformational flexibility of neutral compounds. Dalton Transactions, 2008 (32). pp. 4233-4246. ISSN 1477-9226.


Nemykin, Victor N. and Hadt, Ryan G. and Belosludov, Rodion V. et al. (2007) Influence of molecular geometry, exchange-correlation functional, and solvent effects in the modeling of vertical excitation energies in phthalocyanines using time-dependent density functional theory (TDDFT) and polarized continuum model TDDFT methods: can modern computational chemistry methods explain experimental controversies? Journal of Physical Chemistry A, 111 (50). pp. 12901-12913. ISSN 1089-5639.

Nemykin, Victor N. and Makarova, Elena A. and Grosland, Jeffrey O. et al. (2007) Preparation, characterization, molecular and electronic structures, TDDFT, and TDDFT/PCM study of the solvatochromism in cyanovinylferrocenes. Inorganic Chemistry, 46 (23). pp. 9591-9601. ISSN 0020-1669.

Nemykin, Victor N. and Barrett, Christopher D. and Hadt, Ryan G. et al. (2007) Mixed-valence states formation in conformationally flexible metal-free 5,10,15,20-tetraferrocenylporphyrin and 5,10-bisferrocenyl-15,20-bisphenylporphyrin. Dalton Transactions, 2007 (31). pp. 3378-3389. ISSN 1477-9226.


Nemykin, Victor N. and Hadt, Ryan G. (2006) Influence of Hartree-Fock exchange on the calculated Mössbauer isomer shifts and quadrupole splittings in ferrocene derivatives using density functional theory. Inorganic Chemistry, 45 (20). pp. 8297-8307. ISSN 0020-1669.

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