Optimized Geometries At The B3lyp631gdp Level Of The Final
Optimized geometries at the B3LYP/6–31G(d,p) level of the final ...
Optimized geometries of the dyes at the B3LYP/6-31G(d,p) level ...
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/6‐31G(2df,p) level of theory of the ...
Optimized geometries of ligands at the B3LYP/6-31G(d) level of theory ...
Optimized geometries at the B3LYP/6-31+G(d,p) level of theory. (A ...
Optimized geometries at the B3LYP/6-31G(d,p) level of the cis ...
Geometries of adsorption motifs optimized at the B3LYPD3/6-31G* level ...
Optimized geometries of ligands at the B3LYP/6-31G(d) level of theory ...
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Optimized geometries of the NFAs by DFT at the B3LYP/6-31G(d,p) level ...
Optimized geometries of the reactants at the theoretical level of ...
Optimized geometries at the B3LYP/6-31G(d) level of monomers: cetyl ...
Optimized geometries at the B3LYP/6-31G(d) level for the TS2 structures ...
The optimized geometries of 8, 15a-c at the B3LYP 6-31G(d) level. C ...
Optimized geometries for the TS structures at the B3LYP/6-31G(d) level ...
Optimized geometries and MOs of the model compounds calculated at the ...
The optimized geometries at B3LYP/6-31G(d,p) level for PhN ( 3 A2 ...
Optimized geometries and MOs of the model compounds calculated at the ...
Optimized geometries of the receptor–additive complexes at the B3LYP/6 ...
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Optimized geometries of the studied dyes at the DFT/B3LYP/6-31G(d,p ...
Optimized geometries at the B3LYP/6-31G(d) level for the TS1 structures ...
Optimized geometries and MOs of the model compounds calculated at the ...
Optimized geometries at the B3LYP/6-31+G** level for (a) AmimCl, (b ...
Optimized geometries at the B3LYP/6-311++G (d, p) level for the ...
Optimized geometries of the receptor-additive complexes at the ...
Optimized geometries of studied molecules at B3LYP/6-31G(d,p) level ...
![Optimized [B3LYP/6-31G(d,p)] molecular geometries (A) of the isomeric ...](https://www.researchgate.net/profile/Lyudmila-Moskaleva/publication/224838984/figure/fig1/AS:302605906530304@1449158278295/Optimized-B3LYP-6-31Gd-p-molecular-geometries-A-of-the-isomeric-benzynes-values-in_Q320.jpg)
Optimized [B3LYP/6-31G(d,p)] molecular geometries (A) of the isomeric ...
![Optimized [B3LYP/6-31G(d,p)] molecular geometries (A) of the isomeric ...](https://www.researchgate.net/profile/Lyudmila-Moskaleva/publication/224838984/figure/fig1/AS:302605906530304@1449158278295/Optimized-B3LYP-6-31Gd-p-molecular-geometries-A-of-the-isomeric-benzynes-values-in.png)
Optimized [B3LYP/6-31G(d,p)] molecular geometries (A) of the isomeric ...
Optimized geometries obtained at the ONIOM(B3LYP/6-31G(d):AMBER96)-ME ...
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B3LYP/6-31G(d,p) gas-phase fully optimized geometries of the pairs that ...
Top and lateral views of the optimized geometries (at the B3LYP/6-31G ...
Optimized geometries (B3LYP-D3/6-31G*BLanL2DZ level) of the four NHC-Sc ...
Optimized geometries (B3LYP-D3/6-31G*BLanL2DZ level) of the four NHC-Sc ...
Optimized geometries (B3LYP-D3/6-31G* level) of the ten NHC-C 70 ...
The B3LYP/6-31G* optimized geometries of selected diamondoids with ...