Semi-empirical models

Xem 1-4 trên 4 kết quả Semi-empirical models
  • The scrubbing of aerosol and vapor are modeled based on deposition mechanisms and Fick's law of diffusion, respectively. Studies were performed to determine the effect of various key parameters on wet scrubbing. It is observed that for higher vapor diffusion coefficient in gas bubble, the scrubbing efficiency is higher. For aerosols, the cut-off size above which the scrubbing efficiency becomes significant was also determined.

    pdf5p minhxaminhyeu3 25-06-2019 5 0   Download

  • In present work, the formation constants, logb110, logb120 and the concentration of [M] and [MLi ] in complex solutions of Cu2+ and the amino acids were determined by using the quantitative electron structure and properties relationships (QESPRs) and quantitative complex and complex relationships (QCCRs). The relative charge nets for complex structures were calculated by using molecular mechanics MM+ and semiempirical quantum chemistry calculations ZINDO/1. The QESPRs and QCCRs models were constructed by the atomic charge net on complex structures and the multivariate regression analysis.

    pdf8p kethamoi1 20-11-2019 8 0   Download

  • The quantum-chemical modeling mechanism of the [4+2]-cycloaddition reaction of 2,3 dimethylbuta-1,3-diene and methyl acrylate was conducted. Its qualitative aspects were analyzed at the molecular level by the program MOPAC2012 and semiempirical method RM1.

    pdf6p tocectocec 25-05-2020 0 0   Download

  • In order to predict heavy particle radioactivities in 1980 and to arrive at a unified approach of cluster decay modes, alpha disintegration, and cold fission, before the first experimental confirmation3 in 1984, we developed and used a series of fission theories in a wide range of mass asymmetry, namely: fragmentation theory, numerical (NuSAF) and analytical (ASAF) superasymmetric fission models, and a semiempirical formula for a-decay (see the multiauthored book * and the references therein).

    pdf219p aries23 29-09-2012 72 10   Download



p_strKeyword=Semi-empirical models

nocache searchPhinxDoc


Đồng bộ tài khoản