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The Journal of Chemical Physics|March 4, 2006
The spin-orbit and rotational constants for the N2 C" 5Pi(ui) (v = 3) stateRobert W Field, Olivier Pirali, Dennis W TokarykThe Journal of Chemical Physics|March 4, 2006
Resolution of identity Dirac-Kohn-Sham method using the large component only: Calculations of g-tensor and hyperfine tensorStanislav Komorovský, Michal Repiský, Olga L Malkina, et al.The Journal of Chemical Physics|March 4, 2006
Theoretical model for a tetrad of hydrogen bonds and its application to interpretation of infrared spectra of salicylic acidMarek Boczar, Łukasz Boda, Marek J WójcikThe Journal of Chemical Physics|March 4, 2006
Photoinduced electron transfer and geminate recombination in liquids on short time scales: Experiments and theoryAlexei Goun, Ksenija Glusac, M D FayerThe Journal of Chemical Physics|March 4, 2006
Thermodynamic and dynamic anomalies for a three-dimensional isotropic core-softened potentialAlan Barros de Oliveira, Paulo A Netz, Thiago Colla, et al.The Journal of Chemical Physics|March 4, 2006
Time-resolved small-angle neutron scattering during heat-induced fibril formation from bovine beta-lactoglobulinLuben N Arnaudov, Renko de Vries, Martien A Cohen StuartThe Journal of Chemical Physics|March 4, 2006
Rheological and structural studies of linear polyethylene melts under planar elongational flow using nonequilibrium molecular dynamics simulationsC Baig, B J Edwards, D J Keffer, et al.The Journal of Chemical Physics|March 4, 2006
Calculation of absorption spectra for light-harvesting systems using non-Markovian approaches as well as modified Redfield theoryMarkus Schröder, Ulrich Kleinekathöfer, Michael SchreiberThe Journal of Chemical Physics|March 4, 2006
Coupling nonpolar and polar solvation free energies in implicit solvent modelsJ Dzubiella, J M J Swanson, J A McCammonThe Journal of Chemical Physics|March 11, 2006
Theoretical evidence for nonadiabatic vibrational deexcitation in H2(D2) state-to-state scattering from Cu(100)A C Luntz, M Persson, Greg O SitzPageof 5,308