J. phys. chem. 97 9369 1993
Nettet31. aug. 1998 · Deviations from thermally activated and from exponential response are typical features of the vitrification phenomenon and previously have been studied using viscoelastic, dielectric, calorimetric, optical, and other techniques. Linear response data from literature on about 70 covalent glass formers, ionic melts, supercooled liquids, … NettetDespite the remarkable thermochemical accuracy of Kohn-Sham density-functional theories with gradient corrections for exchange-correlation [see, for example, A. D. Becke, J. Chem. Phys. 96, 2155 (1992)], we believe that further improvements are unlikely unless exact-exchange information is considered. Arguments to support this view are …
J. phys. chem. 97 9369 1993
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NettetLanzafame J M, Palese S, Wang D, Miller R J D and Muenter A 1994J. Phys. Chem. 98 11020. Article CAS Google Scholar Liu D, Kamat P V 1993J. Phys. Chem.,97 10769. Article CAS Google Scholar Rehm J M, McLendon G, Nagasawa Y, Yoshihara K, Moser J and Grätzel M 1996J. Phys. Chem.,100 9577 NettetThe Journal of Physical Chemistry 1993, 97, 5, 1069-1073 (Article) Publication Date (Print): February 1, 1993 First Page PDF Vibrational motions of bases of nucleic acids …
Nettet19. feb. 1998 · We discuss various means of characterizing the pattern of the electrostatic potential on a molecular surface. These include determination of the most positive and most negative values of the potential, its average deviation, and its variance. NettetThis functional performs significantly better than previous functionals with gradient corrections only, and fits experimental atomization energies with an impressively small average absolute deviation of 2.4 kcal/mol. Publication: Journal of Chemical Physics Pub Date: April 1993 DOI: 10.1063/1.464913 Bibcode: 1993JChPh..98.5648B
NettetB. Hartke, “Global Geometry Optimization of Clusters Using Genetic Algorithms,” The Journal of Physical Chemistry, Vol. 97, No. 39, 1993, pp. 9973-9976. … NettetThe Journal of Physical Chemistry B (1997 - onwards) The Journal of Physical Chemistry C (2007 - onwards) The Journal of Physical Chemistry (1951 - 1996) The Journal of …
Nettet31. aug. 1998 · The quantum dynamics and energetics of an excess proton in water have been studied computationally. Comparison of a quantum mechanical treatment of the transferring proton and the water solvent is made with a classical treatment of the same system. The exchange of the proton between two water molecules is found to be an …
Nettet1. mai 1993 · Physicochemical properties of small metal particles in solution: "microelectrode" reactions, chemisorption, composite metal particles, and the atom-to … how to insulate loft ukNettetThe Journal of Physical Chemistry 1993, 97, 27, 6948-6950(Article) Publication Date(Print):July 1, 1993 First Page PDF Effect of surface chelation on the energy of an … jordan abel the place of scrapsNettetThe overall view of the TPD of ammonia to measure the acidic property of zeolites is described. The desorption peaks were identified and the significance of readsorption of ammonia was pointed out for the first time. This part of the work was done using reference catalysts of the Catalysis Society of Japan. The theoretical equation for the TPD with … jordan a boy or girl nameNettet31. aug. 1998 · Surface second harmonic generation (SHG) is shown to display optical rotatory effects dependent on the handedness of chiral molecules (2,2 ’ ‐dihydroxy‐1,1 ’ binaphthyl) at various interfaces. The polarization of the surface SHG radiation is rotated with respect to that of the input fundamental radiation in a direction indicative of the … how to insulate loft ceilingNettetThe Journal of Chemical Physics; Physics Today; The Journal of the Acoustical Society of America; Review of Scientific Instruments; American Journal of Physics; Physics of … jordan abeloe chaparral west holdings llcNettet29. aug. 2024 · Del Ben, J. Hutter, and J. VandeVondele, “ Forces and stress in second order Møller-Plesset perturbation theory for condensed phase systems within the resolution-of-identity Gaussian and plane waves approach,” J. … how to insulate lunch on a winter hikeNettetB. Hartke, “Global Geometry Optimization of Clusters Using Genetic Algorithms,” The Journal of Physical Chemistry, Vol. 97, No. 39, 1993, pp. 9973-9976.doi10.1021/j100141a013 - References - Scientific Research Publishing Article citations More>> jordana best lash extreme mascara