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(2001, November) The Journal of Chemical Physics Vol. 115 (19) AIP Publishing

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Reference TypeJournal (issue)
JournalThe Journal of Chemical Physics
Year2001 (November)Volume115
Issue<   19   >
PublisherAIP Publishing
Mindat Ref. ID2264633Long-form Identifiermindat:1:5:2264633:0
GUID0
Full Reference(2001, November) The Journal of Chemical Physics Vol. 115 (19) AIP Publishing
Plain Text(2001, November) The Journal of Chemical Physics Vol. 115 (19) AIP Publishing
In(2001) The Journal of Chemical Physics Vol. 115. AIP Publishing

Contains

Cioslowski, Jerzy, Ziesche, Paul, Pernal, Katarzyna (2001) Description of a high-density homogeneous electron gas with the Yasuda density matrix functional. The Journal of Chemical Physics, 115 (19). 8725-8730 doi:10.1063/1.1412604
Vlugt, Thijs J. H., Dünweg, Burkhard (2001) Computing phase equilibria by parallel excluded volume tempering. The Journal of Chemical Physics, 115 (19). 8731-8741 doi:10.1063/1.1412864
Miron, Radu A., Fichthorn, Kristen A. (2001) The Step and Slide method for finding saddle points on multidimensional potential surfaces. The Journal of Chemical Physics, 115 (19). 8742-8747 doi:10.1063/1.1412285
Wu, X., Vargas, M. C., Nayak, S., Lotrich, V., Scoles, G. (2001) Towards extending the applicability of density functional theory to weakly bound systems. The Journal of Chemical Physics, 115 (19). 8748-8757 doi:10.1063/1.1412004
So/lling, Theis I., Smith, David M., Radom, Leo, Freitag, Mark A., Gordon, Mark S. (2001) Towards multireference equivalents of the G2 and G3 methods. The Journal of Chemical Physics, 115 (19). 8758-8772 doi:10.1063/1.1411998
Iwata, J.-I., Yabana, K., Bertsch, G. F. (2001) Real-space computation of dynamic hyperpolarizabilities. The Journal of Chemical Physics, 115 (19). 8773-8783 doi:10.1063/1.1411996
Shah, Pooja, Chakravarty, Charusita (2001) Comparison of inherent, instantaneous, and saddle configurations of the bulk Lennard-Jones system. The Journal of Chemical Physics, 115 (19). 8784-8794 doi:10.1063/1.1413739
Balasubramanian, K., Majumdar, D. (2001) Spectroscopic properties of lead trimer (Pb3 and Pb3+): Potential energy surfaces, spin–orbit and Jahn–Teller effects. The Journal of Chemical Physics, 115 (19). 8795-8809 doi:10.1063/1.1412000
Song, Jae Kyu, Tsubouchi, Masaaki, Suzuki, Toshinori (2001) Femtosecond photoelectron imaging on pyrazine: Spectroscopy of 3s and 3p Rydberg states. The Journal of Chemical Physics, 115 (19). 8810-8818 doi:10.1063/1.1410974
Tafadar, Nurun, Kearney, Dominic, Price, Stephen D. (2001) Intramolecular isotope effects in the reactions of CF32+ and CO22+ with HD. The Journal of Chemical Physics, 115 (19). 8819-8827 doi:10.1063/1.1407274
Sayós, R., Oliva, Carolina, González, Miguel (2001) Ab initio CASPT2//CASSCF study of the O(1D)+H2O(X 1A1) reaction. The Journal of Chemical Physics, 115 (19). 8828-8837 doi:10.1063/1.1408298
González, Miguel, Miquel, Irene, Sayós, R. (2001) Ab initio, VTST, and QCT study of the 1 2A″ potential energy surface of the N(2D)+O2(X 3Σg−)→O(3P)+NO(X 2Π) reaction. The Journal of Chemical Physics, 115 (19). 8838-8851 doi:10.1063/1.1408301
Tipping, R. H., Brown, Alex, Ma, Q., Hartmann, J. M., Boulet, C., Liévin, J. (2001) Collision-induced absorption in the ν2 fundamental band of CH4. I. Determination of the quadrupole transition moment. The Journal of Chemical Physics, 115 (19). 8852-8857 doi:10.1063/1.1408915
Balasubramanian, K., Zhu, XiaoLei (2001) Spectroscopic properties of mixed gallium arsenide tetramers: GaAs3±, GaAs3, Ga3As±, and Ga3As. The Journal of Chemical Physics, 115 (19). 8858-8867 doi:10.1063/1.1412469
Xin, Ju, Reid, Scott A., Santoro, Fabrizio, Petrongolo, Carlo (2001) On the energy dependence of the hyperfine interaction in excited states of NO2. The Journal of Chemical Physics, 115 (19). 8868-8875 doi:10.1063/1.1409356
Brandt-Pollmann, Ulrich, Weiß, Jan, Schinke, Reinhard (2001) The unimolecular dissociation of HCO. V. Mixings between resonance states. The Journal of Chemical Physics, 115 (19). 8876-8879 doi:10.1063/1.1412601
Weiß, J., Hauschildt, J., Schinke, R., Haan, O., Skokov, S., Bowman, J. M., Mandelshtam, V. A., Peterson, K. A. (2001) The unimolecular dissociation of the OH stretching states of HOCl: Comparison with experimental data. The Journal of Chemical Physics, 115 (19). 8880-8887 doi:10.1063/1.1412602
Candori, R., Cavalli, S., Pirani, F., Volpi, A., Cappelletti, D., Tosi, P., Bassi, D. (2001) Structure and charge transfer dynamics of the (Ar–N2)+ molecular cluster. The Journal of Chemical Physics, 115 (19). 8888-8898 doi:10.1063/1.1413980
Geremia, J. M., Rabitz, H. (2001) The Ar–HCl potential energy surface from a global map-facilitated inversion of state-to-state rotationally resolved differential scattering cross sections and rovibrational spectral data. The Journal of Chemical Physics, 115 (19). 8899-8912 doi:10.1063/1.1402997
Toxvaerd, S. (2001) Molecular-dynamics simulation of homogeneous nucleation in the vapor phase. The Journal of Chemical Physics, 115 (19). 8913-8920 doi:10.1063/1.1412608
Popov, Alexander V., Agmon, Noam (2001) Three-dimensional simulations of reversible bimolecular reactions: The simple target problem. The Journal of Chemical Physics, 115 (19). 8921-8932 doi:10.1063/1.1412609
Matyushov, Dmitry V. (2001) Time-resolved fluorescence of polarizable chromophores. The Journal of Chemical Physics, 115 (19). 8933-8941 doi:10.1063/1.1410116
Kropman, M. F., Bakker, H. J. (2001) Femtosecond mid-infrared spectroscopy of aqueous solvation shells. The Journal of Chemical Physics, 115 (19). 8942-8948 doi:10.1063/1.1412249
Yamazaki, Takeshi, Sato, Hirofumi, Hirata, Fumio (2001) Solvent effect on the nuclear magnetic shielding: ab initio study by the combined reference interaction site model and electronic structure theories. The Journal of Chemical Physics, 115 (19). 8949-8957 doi:10.1063/1.1412872
Moreno, A. J., Alegrı́a, A., Colmenero, J., Prager, M., Grimm, H., Frick, B. (2001) Methyl group dynamics in glassy toluene: A neutron scattering study. The Journal of Chemical Physics, 115 (19). 8958-8966 doi:10.1063/1.1413742
Moody, M. P., Attard, P. (2001) Curvature dependent surface tension from a simulation of a cavity in a Lennard-Jones liquid close to coexistence. The Journal of Chemical Physics, 115 (19). 8967-8977 doi:10.1063/1.1413514
Bordat, Patrice, Reith, Dirk, Müller-Plathe, Florian (2001) The influence of interaction details on the thermal diffusion in binary Lennard-Jones liquids. The Journal of Chemical Physics, 115 (19). 8978-8982 doi:10.1063/1.1412610
Vinogradov, Elena, Madhu, P. K., Vega, Shimon (2001) Phase modulated Lee–Goldburg magic angle spinning proton nuclear magnetic resonance experiments in the solid state: A bimodal Floquet theoretical treatment. The Journal of Chemical Physics, 115 (19). 8983-9000 doi:10.1063/1.1408287
Weckesser, J., Cepek, C., Fasel, R., Barth, J. V., Baumberger, F., Greber, T., Kern, K. (2001) Binding and ordering of C60 on Pd(110): Investigations at the local and mesoscopic scale. The Journal of Chemical Physics, 115 (19). 9001-9009 doi:10.1063/1.1410391
Tojima, Atsushi, Manaka, Takaaki, Iwamoto, Mitsumasa (2001) Orientational order study of monolayers at the air–water interface by Maxwell-displacement current and optical second harmonic generation. The Journal of Chemical Physics, 115 (19). 9010-9017 doi:10.1063/1.1413738
Guvenc, Ziya B., Sha, Xianwei, Jackson, Bret (2001) Eley–Rideal and hot atom reactions between hydrogen atoms on Ni(100): Electronic structure and quasiclassical studies. The Journal of Chemical Physics, 115 (19). 9018-9027 doi:10.1063/1.1414374
Diekhöner, L., Mortensen, H., Baurichter, A., Jensen, E., Petrunin, V. V., Luntz, A. C. (2001) N2 dissociative adsorption on Ru(0001): The role of energy loss. The Journal of Chemical Physics, 115 (19). 9028-9035 doi:10.1063/1.1413746
Novotná, Vladimı́ra, Glogarová, Milada, Hamplová, Věra, Kašpar, Miroslav (2001) Re-entrant ferroelectric phases in binary mixtures of ferroelectric and antiferroelectric homologues of a series with three chiral centers. The Journal of Chemical Physics, 115 (19). 9036-9041 doi:10.1063/1.1412871
Dürr, O., Frisch, H. L., Dieterich, W. (2001) Melt viscosities of lattice polymers using a Kramers potential treatment. The Journal of Chemical Physics, 115 (19). 9042-9045 doi:10.1063/1.1412607
Monkman, A. P., Burrows, H. D., Hamblett, I., Navarathnam, S., Svensson, M., Andersson, M. R. (2001) The effect of conjugation length on triplet energies, electron delocalization and electron–electron correlation in soluble polythiophenes. The Journal of Chemical Physics, 115 (19). 9046-9049 doi:10.1063/1.1412868
Sung, Jaeyoung, Lee, Sangyoub (2001) Intrachain fluorescence quenching in a flexible polymer: A theory for frequency-domain fluorometric experiments. The Journal of Chemical Physics, 115 (19). 9050-9054 doi:10.1063/1.1411992
Tian, Pu, Bedrov, Dmitry, Smith, Grant D., Glaser, Matthew (2001) A molecular dynamics simulation study of the phase behavior of an ensemble of rigid bead-necklace molecules. The Journal of Chemical Physics, 115 (19). 9055-9064 doi:10.1063/1.1410380
Bhattacharyya, Sarika, Bagchi, Biman (2001) Anomalous orientational relaxation of solute probes in binary mixtures. The Journal of Chemical Physics, 115 (19). 9065-9071 doi:10.1063/1.1412869
de Miguel, Enrique, Martín del Río, Elvira (2001) The isotropic–nematic transition in hard Gaussian overlap fluids. The Journal of Chemical Physics, 115 (19). 9072-9083 doi:10.1063/1.1411991
Chen, Yong, Shew, Chwen-Yang (2001) Monte Carlo simulations for a fluctuating sphere labeled on a flexible polymer chain in good solvents. The Journal of Chemical Physics, 115 (19). 9084-9091 doi:10.1063/1.1409360

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