Roszak, S., Kaldor, U., Chapman, D. A., Kaufman, Joyce J. (1992) Ab-initio multireference configuration interaction and coupled cluster studies of potential surfaces for proton transfer in ammonia-proton-water hydrogen-bonded ion. The Journal of Physical Chemistry, 96 (5). 2123-2129 doi:10.1021/j100184a021

See Also

These are possibly similar items as determined by title/reference text matching only.

	Kaldor, Uzi, Roszak, Szczepan, Hariharan, P. C., Kaufman, Joyce J. (1989) Multireference coupled cluster and multireference configuration interaction studies of the potential surfaces for deprotonation of NH+4. The Journal of Chemical Physics, 90 (11). 6395-6400 doi:10.1063/1.456305
	Roszak, S., Kaufman, Joyce J. (1992) Ab-initio multiple reference double-excitation configuration-interaction ground and excited state potential curves for the H2NNO2 decomposition in nitramine. Chemical Physics, 160. 1-9 doi:10.1016/0301-0104(92)87086-o
	Roszak, S., Kaufman, Joyce J. (1991) Ab initio multiple reference double‐excitation configuration‐interaction ground and excited state potential curves for nitromethane decomposition. The Journal of Chemical Physics, 94 (9). 6030-6035 doi:10.1063/1.460440
	Teunissen, E. H., Van Duijneveldt, F. B., Van Santen, R. A. (1992) Interaction of ammonia with a zeolitic proton: ab initio quantum-chemical cluster calculations. The Journal of Physical Chemistry, 96 (1). 366-371 doi:10.1021/j100180a068
	Moore, Dana B., Martínez, Todd J. (2000) Ab Initio Studies of Coupled Electron Transfer/Proton Transfer in CytochromecOxidase. The Journal of Physical Chemistry A, 104 (11). 2525 doi:10.1021/jp0003048
	Cazar, Robert A., Jamka, Alan J., Tao, Fu-Ming (1998) Ab Initio Investigation of Proton Transfer in Ammonia−Hydrogen Chloride and the Effect of Water Molecules in the Gas Phase. The Journal of Physical Chemistry A, 102 (26). 5117-5123 doi:10.1021/jp9810872
	Snyder, James A., Cazar, Robert A., Jamka, Alan J., Tao, Fu-Ming (1999) Ab Initio Study of Gas-Phase Proton Transfer in Ammonia−Hydrogen Halides and the Influence of Water Molecules. The Journal of Physical Chemistry A, 103 (38). 7719-7724 doi:10.1021/jp991918j
	Roszak, S., Hariharan, P. C., Kaufman, Joyce J., Koski, W. S. (1990) MRD-CI calculations of proton affinity within theab initio method for approximation of the frozen molecular fragment. Journal of Computational Chemistry, 11 (9). 1076-1079 doi:10.1002/jcc.540110910
	Coe, Joshua D., Levine, Benjamin G., Martínez, Todd J. (2007) Ab Initio Molecular Dynamics of Excited-State Intramolecular Proton Transfer Using Multireference Perturbation Theory†. The Journal of Physical Chemistry A, 111 (44). 11302-11310 doi:10.1021/jp072027b
	Roszak, Szczepan, Kaufman, Joyce J., Koski, W. S., Barreto, Reynaldo D., Fehlner, T. P., Balasubramanian, K. (1992) Experimental and theoretical studies of photoelectron spectra of oxetane and some of its halogenated methyl derivatives. The Journal of Physical Chemistry, 96 (18). 7226-7230 doi:10.1021/j100197a018
	Kollman, Peter, Dearing, Andrew, Kochanski, E. (1982) Ab initio self-consistent field calculations on molecular iodine-ammonia and hydrogen iodide-ammonia. The classic "charge-transfer" interaction, an example of gas-phase proton transfer, and the duality of Lewis acid sites on hydrogen iodide. The Journal of Physical Chemistry, 86 (9). 1607-1610 doi:10.1021/j100206a026