Solvent Stokes'Shifts Revisited:Application and Comparison of Thompson-Schweizer-Chandler-Song-Marcus Theories with Ooshika-Bakshiev-Lippert Theories

William Kirk

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Solvent Stokes'Shifts Revisited:Application and Comparison of Thompson-Schweizer-Chandler-Song-Marcus Theories with Ooshika-Bakshiev-Lippert Theories

机译：再次探讨溶剂斯托克斯的转变：汤普森-施韦泽-钱德勒-宋-马库斯理论与Ooshika-Bakshiev-Lippert理论的应用和比较

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The"classical"treatment of solvent Stokes'shifts has been with us for 50 years or more.Twenty-five years ago,aided by new statistical mechanical underpinnings of liquid-state theory,Chandler and others[Thompson,M.;Schweizer,K.;Chandler,D.J.Chem.Phys.1982,76,1128-1135.Schweizer,K.;Chandler,D.7.Chem.Phys.1983,78,4118-4125.Song,X.;Chandler,D.;Marcus,R.J.Phys.Chem.1996,700,11954-959.]developed newer approaches to predicting solvent shifts.I employ these here in a direct comparison with the older methods for three molecules of general interest in four different solvents.I also suggest new routes to future methods that may retain the advantages of both methods.

机译：溶剂斯托克斯转移的“经典”处理方法已经存在了50多年。25年前，借助液相理论，钱德勒等人的新的统计力学基础[Thompson，M。; Schweizer，K 。;钱德勒，DJChem.Phys.1982,76,1128-1135.Schweizer，K .;钱德勒，D.7.Chem.Phys.1983,78,4118-4125.Song，X .;钱德勒，D .; Marcus，RJPhys.Chem.1996,700,11954-959。]开发了预测溶剂转移的新方法。在这里，我将这些方法与较旧的方法直接比较，以比较常见的三种在四种不同溶剂中使用的分子。可能保留这两种方法优点的新方法。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2008年第51期|共13页
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1. Solvent Stokes'Shifts Revisited:Application and Comparison of Thompson-Schweizer-Chandler-Song-Marcus Theories with Ooshika-Bakshiev-Lippert Theories [J] . William Kirk The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2008,第51期

机译：再次探讨溶剂斯托克斯的转变：汤普森-施韦泽-钱德勒-宋-马库斯理论与Ooshika-Bakshiev-Lippert理论的应用和比较
2. Solvent dependence of Stokes shift for organic solute-solvent systems: A comparative study by spectroscopy and reference interaction-site model-self-consistent-field theory [J] . Nishiyama K., Watanabe Y., Yoshida N., The Journal of Chemical Physics . 2013,第9期

机译：斯托克斯位移对有机溶质-溶剂体系的溶剂依赖性：光谱学和参考相互作用-位点-模型-自洽场理论的比较研究
3. Solvent dependence of Stokes shift for organic solute-solvent systems: A comparative study by spectroscopy and reference interaction-site model-self-consistent-field theory [J] . Nishiyama K., Watanabe Y., Yoshida N., The Journal of Chemical Physics . 2013,第9期

机译：斯托克斯位移对有机溶质-溶剂体系的溶剂依赖性：光谱学和参考相互作用-位点-模型-自洽场理论的比较研究
4. Si NMR chemical shifts from Density Functional Theory incorporating solvent effects [C] . Keith Butler, Ben Slater, Dewi W.Lewis International Federation of European Zeolite Associations Conference . 2008

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5. Navier-Stokes solutions of unsteady separation induced by a vortex: Comparison with theory and influence of a moving wall. [D] . Obabko, Aleksandr Vladimirovich. 2001

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6. Solvent Stokes Shifts Revisited: Application and Comparison of Thompson-Schweizer-Chandler-Song-Marcus Theories with Ooshika-Bakshiev-Lippert Theories [O] . William Kirk -1

机译：重新探讨溶剂斯托克斯的转变：汤普森-施韦泽-钱德勒-宋-马库斯理论与Ooshika-Bakshiev-Lippert理论的应用和比较
7. Comparison of quantum Monte Carlo with time-dependent and static density-functional theory calculations of diamondoid excitation energies and Stokes shifts [O] . Marsusi F, Sabbaghzadeh J, Drummond Neil 2011

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8. Theoretical Calculations of H2O Linewidths and Pressure Shifts: Comparison of Anderson Theory with Quantum Many-Body Theory for N2 and Air Broadened Lines. [R] . Davies, R. W., Oli, B. A. 1977

机译：H2O线宽和压力变换的理论计算：anderson理论与量子多体理论对N2和空气扩张线的比较。

Solvent Stokes'Shifts Revisited:Application and Comparison of Thompson-Schweizer-Chandler-Song-Marcus Theories with Ooshika-Bakshiev-Lippert Theories

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