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Benzene zero-point energy results

Figure 24. Diabatic (left) and adiabatic (right) population probabilities of the C (full line), B (dotted line), and X (dashed line) electronic states as obtained for Model II, which represents a three-state five-mode model of the benzene cation. Shown are (A) exact quantum calculations of Ref. 180 mean-field trajectory results [panels (B),(E)] and quasi-classical mapping results including the full [panels (C),(F)] and 60% [panels (D),(G)] of the electronic zero-point energy, respectively. Figure 24. Diabatic (left) and adiabatic (right) population probabilities of the C (full line), B (dotted line), and X (dashed line) electronic states as obtained for Model II, which represents a three-state five-mode model of the benzene cation. Shown are (A) exact quantum calculations of Ref. 180 mean-field trajectory results [panels (B),(E)] and quasi-classical mapping results including the full [panels (C),(F)] and 60% [panels (D),(G)] of the electronic zero-point energy, respectively.
Fig. 1. The observed zero-point energies of the iower TTTT states of benzene vapor. These are the states S, 52, 5j and T, T,, T. The energies are given in cm", and the vaiues in parentheses are for CjDj. Evidence for the assignments and energies is discussed in the text. The hatched area extending about 3000 cm i above the 52u zero-point energy represents the approximate energy region where excitation results in fluorescence in the vapor. Fluorescence is not observed following excitation of higher vibrational levels in Sj or of any levels in 2 or... Fig. 1. The observed zero-point energies of the iower TTTT states of benzene vapor. These are the states S, 52, 5j and T, T,, T. The energies are given in cm", and the vaiues in parentheses are for CjDj. Evidence for the assignments and energies is discussed in the text. The hatched area extending about 3000 cm i above the 52u zero-point energy represents the approximate energy region where excitation results in fluorescence in the vapor. Fluorescence is not observed following excitation of higher vibrational levels in Sj or of any levels in 2 or...
Fig. 3.6. Effect of polydispersity on the relation between the number averages of reduced stored free energy and reduced shear rate for a series of polystyrenes (Table 3.3) in monobromo-benzene at 25° C (75). The following concentrations given in g/100cms are used PS III () ) 3.0, (4) 1.5, (a) 0.75 DII (o-) 0.80, (-o) 0.575, () 0.39 DIV ( -) 1.0, ( ) 0.75, (- ) 0.55 F (>j) 1.0, (A) 0.7, ( ) 0.4 Taps. No. 15 ( -) 1.0, (- ) 0.633, (f ) 0.4. The full line indicates the non-draining behaviour of a monodisperse polymer (80). The dotted line is the result of extrapolating the data for PS III to zero concentration. The (MJMn)-ratios of the samples are given near the experimental points... Fig. 3.6. Effect of polydispersity on the relation between the number averages of reduced stored free energy and reduced shear rate for a series of polystyrenes (Table 3.3) in monobromo-benzene at 25° C (75). The following concentrations given in g/100cms are used PS III () ) 3.0, (4) 1.5, (a) 0.75 DII (o-) 0.80, (-o) 0.575, (<j>) 0.39 DIV ( -) 1.0, ( ) 0.75, (- ) 0.55 F (>j) 1.0, (A) 0.7, ( ) 0.4 Taps. No. 15 ( -) 1.0, (- ) 0.633, (f ) 0.4. The full line indicates the non-draining behaviour of a monodisperse polymer (80). The dotted line is the result of extrapolating the data for PS III to zero concentration. The (MJMn)-ratios of the samples are given near the experimental points...

See other pages where Benzene zero-point energy results is mentioned: [Pg.120]    [Pg.72]    [Pg.105]    [Pg.265]    [Pg.469]    [Pg.286]    [Pg.286]    [Pg.323]    [Pg.238]    [Pg.104]    [Pg.626]    [Pg.154]    [Pg.255]    [Pg.191]    [Pg.717]    [Pg.191]    [Pg.356]    [Pg.255]    [Pg.18]    [Pg.12]    [Pg.557]    [Pg.507]   
See also in sourсe #XX -- [ Pg.318 , Pg.319 , Pg.320 , Pg.321 , Pg.322 , Pg.323 , Pg.324 ]




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