J. phys. chem. 97 9369 1993
Nettet1. jun. 1998 · The attachment of electrons to large helium droplets containing up to 10 8 atoms produced in supercritical liquid free jet expansions has been investigated in a crossed beam scattering experiment. Negative cluster ions were formed in collisions with electrons from a nearly monoenergetic (δE≈0.25 eV) electron beam with energies E el … Nettet8. okt. 1998 · This paper presents an evaluation of the performance of time-dependent density-functional response theory (TD-DFRT) for the calculation of high-lying bound electronic excitation energies of molecules. TD-DFRT excitation energies are reported for a large number of states for each of four molecules: N 2, CO, CH 2 O, and C 2 H 4.In …
J. phys. chem. 97 9369 1993
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NettetB. 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>> 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 …
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 … Nettet29. apr. 1994 · K.A. Littau, RE Szajowski, A.J. Muller, A.R. Kortan and L.E. Brus, J. Phys. Chem. 97 (1993 ) 1224; W.L. Wilson, RE Szajowski and L.E. Brus, Science (1993 ). [6 ] A. Fojtik, M. Giersig and A. Henglein, Ber. Bunsenges. Physik. Chem. 97 (1993 ) 1493. [ 7 ] A. Henglein, Ber. Bunsenges. Physik.
Nettet19. feb. 2024 · The Journal of Physical Chemistry A has been certified as a transformative journal by cOAlition S, committing to a transition to 100% open access in the future. If your research funder has signed Plan S, your open access charges may be covered by your funder through December 31, 2024. Please visit the ACS Open Science website for …
Nettet4. jun. 1998 · An effective and flexible numerical scheme is proposed to simulate the dissipative quantum dynamics of a linearized system–bath Hamiltonian. Based on the observation that the Feynman path integrals...
NettetJoseph M. Jasinski The Journal of Physical Chemistry 1993, 97, 29, 7385-7387 (Article) Publication Date (Print): July 1, 1993 First Page PDF A computer simulation study of … fun fact about the grinchNettetThe Journal of Physical Chemistry A is a scientific journal which reports research on the chemistry of molecules - including their dynamics, spectroscopy, kinetics, structure, … fun fact about the house of representativesNettet1. mai 1993 · Physicochemical properties of small metal particles in solution: "microelectrode" reactions, chemisorption, composite metal particles, and the atom-to … fun fact about the lawNettetThe Raman and infrared spectra of lithium hexafluorophosphate(LiPF6) and the quantum chemical computations of the vibrationalwavenumbers and intensities are reported. … fun fact about the great aukNettet29. 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. … girl slapping forehead emojiNettetNumber 3, February 1993; Number 2, January 1993; Number 1, January 1993; Journal links. Author guidelines; Review for this journal; Pricing and ordering; IOP Science home. Journals; Books; About IOPscience; Contact us; Developing countries access; IOP Publishing open access policy; IOP Publishing home girls laptop wallpaperNettet21. jun. 1993 · Phys. Rev. Lett. 70, 3999 – Published 21 June 1993 More PDF Export Citation Abstract A miniature superconducting resonator operating at 1.3 K and 900 … girl slaps guy guy fights back