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The Journal of Chemical Physics|September 9, 2004
Analytical second-order geometrical derivatives of energy for the self-consistent-charge density-functional tight-binding methodHenryk A Witek, Stephan Irle, Keiji MorokumaThe Journal of Chemical Physics|September 9, 2004
Resonance spectrum and dissociation dynamics of ozone in the 3B2 electronically excited state: experiment and theorySabine F Deppe, Uwe Wachsmuth, Bernd Abel, et al.The Journal of Chemical Physics|September 9, 2004
On the vertical excitation energy of cyclopentadieneYannick J Bomble, Kurt W Sattelmeyer, John F Stanton, et al.The Journal of Chemical Physics|September 9, 2004
Rovibrational and dynamical properties of the hydrogen bonded complex (CH2)2S-HF: a combined free jet, cell, and neon matrix-Fourier transform infrared studyP Asselin, M Goubet, M Lewerenz, et al.The Journal of Chemical Physics|September 9, 2004
Bridge mediated two-electron transfer reactions: on the influence of intersite Coulomb interactionsE G Petrov, V I Teslenko, V MayThe Journal of Chemical Physics|September 9, 2004
The workings of a molecular thermometer: the vibrational excitation of carbon tetrachloride by a solventPolly B Graham, Kira J M Matus, Richard M StrattThe Journal of Chemical Physics|September 9, 2004
Electric field induced switching of poly(ethylene glycol) terminated self-assembled monolayers: a parallel molecular dynamics simulationSatyavani Vemparala, Rajiv K Kalia, Aiichiro Nakano, et al.The Journal of Chemical Physics|September 9, 2004
Low-temperature susceptibility of concentrated magnetic fluidsAlexander F Pshenichnikov, Alexander V LebedevThe Journal of Chemical Physics|September 9, 2004
Competition of hydrophobic and Coulombic interactions between nanosized solutesJ Dzubiella, J-P HansenPageof 5,306