Optimized Geometries Of The Dyes In Chloroform At B3lyp6 311gdp
Optimized geometries of the dyes in chloroform at B3LYP/6-311þþG(d,p ...
Optimized geometries of the dyes in chloroform at B3LYP/6-311þþG(d,p ...
Optimized geometries of the studied dyes at DFT/B3LYP/6-31G(d,p) in the ...
Optimized geometries of the dyes at the B3LYP/6-31G(d,p) level ...
Optimized geometries of the dyes computed using DFT theory at the ...
Optimized geometries of the dyes computed using DFT theory at the ...
Selected parameters from the optimized geometries of the title dyes at ...
Figure 2. Optimized geometries (side view) of triarylamine dyes at the ...
Optimized geometries of the reactants at the theoretical level of ...
Optimized geometries at the B3LYP/6–31G(d,p) level of the final ...
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Optimized geometries at the B3LYP/6‐31G(2df,p) level of theory of the ...
Optimized geometries at the B3LYP/6‐31G(2df,p) level of theory of the ...
Optimized geometries at the B3LYP/6-31+G(d,p) level of theory. (A ...
Optimized geometries at the B3LYP/6‐31G(2df,p) level of theory of the ...
Optimized ground state geometries of the dyes (a) TPA-TBT-1, (b ...
Optimized geometries of 2b and 2c at B3LYP/6–311++G (d, p) level in DMF ...
Optimized geometries at the B3LYP/6-31G(d,p) level of the cis ...
Optimized geometries of the transition states involved in the ...
Optimized ground state geometries of the dyes (a) TPA-TBT-1, (b ...
Optimized geometries at the B3LYP/6-311++G (3df,2p) level of theory of ...
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The optimized structures of all dyes obtained using B3LYP/6-31+G(d ...
TD-DFT (B3LYP/6-311+G(d,p)) optimized geometries of the dye 1, and ...
The B3LYP/6-31+G* optimized geometries and relative energies ( D E ) of ...
Optimized geometry of all structures in all reaction paths at ...
Optimized geometries of the studied molecules obtained by B3LYP/6-311 G ...
Top and lateral views of the optimized geometries (at the B3LYP/6-31G ...
Optimized geometries obtained by B3LYP/6-31G (d, p) of the studied ...
Figure S1. B3LYP-D optimized geometries of all the poses considered for ...
TD-DFT (B3LYP/6-31G(d)) S0 and S1 states optimized geometries of the ...
TD-DFT (B3LYP/6-31G(d)) S0 and S1 states optimized geometries of the ...
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Optimized geometries obtained by B3LYP/6-31G(d,p) of the studied ...
Optimized geometries of all investigated molecules at B3YLP/6-31G (d, p ...
Optimized geometries for all the intermediates and transition states at ...
Optimized geometric structures of the studied molecules at the ...
Optimized geometries at the B3LYP/6-311++G (d, p) level for the ...
Optimized geometries (length in A and angle in degree) for all the ...