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Synthesis, characterization, and theoretical studies on N'-furan-2ylmethylene-N-[4-(3-methyl-3-phenyl-cyclobutyl)-thiazol-2-yl]-c hloro-acetic acid hydrazide Demir S, Dincer M, Cukurovali A, Yilmaz I Molecular Crystals and Liquid Crystals, 629(1), 44, 2016 |
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DFT-SQM force field for nickel porphine: Intrinsic ruffling Kozlowski PM, Rush TS, Jarzecki AA, Zgierski MZ, Chase B, Piffat C, Ye BH, Li XY, Pulay P, Spiro TG Journal of Physical Chemistry A, 103(10), 1357, 1999 |
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Direct scaling of primitive valence force constants : An alternative approach to scaled quantum mechanical force fields Baker J, Jarzecki AA, Pulay P Journal of Physical Chemistry A, 102(8), 1412, 1998 |
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Electronic spectra of porphycenes in rare gas and nitrogen matrices Starukhin A, Vogel E, Waluk J Journal of Physical Chemistry A, 102(49), 9999, 1998 |
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Low-lying spin states of iron(II) porphine Kozlowski PM, Spiro TG, Berces A, Zgierski MZ Journal of Physical Chemistry B, 102(14), 2603, 1998 |
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Eigenstates for Internal Rotors with Angle-Dependent Moment of Inertia Mellor WE, Kalotas TM, Lee AR Journal of Chemical Physics, 106(17), 6825, 1997 |
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Methylvinyldifluorosilane and Methylvinyldichlorosilane (H2C=chsix2Ch3, X=f, Cl) - Structure, Conformation, and Torsional Potential as Determined by Gas-Phase Electron-Diffraction and Ab-Initio Calculations Johansen TH, Hagen K, Stolevik R, Hassler K Journal of Physical Chemistry A, 101(19), 3580, 1997 |
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Solvent Effects on 1,2-Dihaloethane Gauche/Trans Ratios Wiberg KB, Keith TA, Frisch MJ, Murcko M Journal of Physical Chemistry, 99(22), 9072, 1995 |
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Tunneling Splittings in the S-1 Electronic States of Symmetrically Substituted 3,7-Dichlorotropolone, 3,5,7-Trichlorotropolone, and 3,7-Dibromotropolone Sekiya H, Tsuji T, Ito S, Mori A, Takeshita H, Nishimura Y Journal of Chemical Physics, 101(5), 3464, 1994 |
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Feature State Assignment and Hierarchical and Statistical-Analyses of Vibronic and Rovibronic Level Structure of NO2 in the 16300-25130-cm(-1) Region Miyawaki J, Yamanouchi K, Tsuchiya S Journal of Chemical Physics, 101(6), 4505, 1994 |