### Table 1. The generalized results of quantum-chemical calculations for some molecules in HClO4 solution

"... In PAGE 17: ...onformer is more stable than the axial form, whereas for the thietane...HCl complex, opposite trend is observed ( Table1 ). Two low-frequency motions transfer one form of the complex to the other: the four-membered ring-puckering and the HCl inversion.... In PAGE 17: ... The shape of the potentials with respect to the both motions was studied in details and will be presented in the poster. Table1 . The MP2/6-311++G** energy differences for the complexes studied.... In PAGE 89: ... The latter values were further corrected for the basis set superposition error. Results and Discussion Table1 lists selected characteristics of some dihydrophenazine derivatives calculated at the applied level of the theory as well as those of anthracene and its methyl or ethyl derivatives. 1, shown in Fig.... In PAGE 90: ...Current Trends in Computational Chemistry 2001 270 Table1 . Total energies (Etot, au), HOMO and LUMO values (au), non-planarities (f, degree) and dipole moments (D, debye) calculated at the B3LYP/6-31G* level of theory for dihydrophenazine and anthracene derivatives.... In PAGE 90: ...2 0.70 An analysis of the data in Table1 show that, in contrast to the completely planar structure of anthracene and its methyl or ethyl derivatives, dihydrophenazines adopt mainly non-planar, propeller twist structures. As a measure of non-planarity, we choose an angle f formed between the two aromatic rings of dihydrophenazine moiety.... ..."

### Table 4. Data of quantum-chemical calculations (PM3 level), values of topological and informational indices.

### Table I presents the maximum values of the hop- ping conductivity of the DNA segment worked out by different quantum chemical methods. The experimental value of fresh quenching time was re- ported to be 150 ps.3 The corresponding value of the conductivity to transfer a hole through the DNA segment can be estimated by the following formula:

### Table 10. Symbols for Quantum Chemical Parameters simplified symbol common symbol

2001

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### Table 2. Results of the Computer Search*. Number of

"... In PAGE 11: ... When all the values of r (46 lt; r lt; 50) have been exhausted, the computer program ends. The results are tabulated in Table2 , and some representa- tive solutions follow.... ..."

### Table 2 Theoretical results of H metal atom lattice after Min et al. [7]. The data for the diamond structure are taken from [8]. The results are plotted in Fig. 2 to illustrate the reduction of bond length with coordination as predicted by the simple quantum-chemical model

in Equilibrium Bond Lengths in Monoatomic Lattices of Metal Atoms as Function of Coordination Number

"... In PAGE 3: ... In the latter case, the available data of the kind we require go back to the works [7,8]. We summarize their findings which are relevant in the present context in Table2 and Fig. 2 (where the Equilibrium Bond Lengths in Monoatomic Lattices of Metal Atoms 313 Fig.... ..."

### Table 2: Points used in derivatives computation Name x y z

"... In PAGE 10: ... A program was built to calculate the required partial derivatives by numerical di erentiation. Table2 gives the coordinates of the points in the envelope for which partials were computed; it extends the o cial envelope to a wider box in the region around the \home quot; position in order to support beam switching. Tables 3 through 8 display the computed partials.... In PAGE 15: ... Motions in z larger than 0:83 inch may be desirable in order to move the beam between feedhorns separated by up to about 14 inches in the Gregorian focal plane while maintaining optimal imaging quality. Probably the best way to implement this will be to modify PCD apos;s rmware implementation so that it will permit displacements inside the box de ned by the eight points labelled \G x y z quot; in Table2 in addition... ..."

### Table 1. Performance benchmarks.*

2003

"... In PAGE 9: ... Gaigen can read this report into its user interface to per- form automatic optimizations. Performance Table1 presents our benchmark results for each implementation of each model. Two columns contain rendering times; one with and one without time spent on line-BSP intersection computations.... ..."

Cited by 6

### TABLE 5. Predicted MICs by computational screening and MLR function on virtual quinolones derived by modification of moxifloxacin, sparfloxacin, and gatifloxacin

2000