<p>The frontier molecular orbitals (FMOs) (HOMOs and LUMOs) of A1, A2 and A3 compounds.</p
Since the frontier-orbital theory was proposed at 1951 by Kenichi Fukui, it has been used successful...
It is common to introduce electron-donating or electron-withdrawing substituent groups into function...
It is common to introduce electron-donating or electron-withdrawing substituent groups into function...
<p>Molecular orbital plots, showing HOMO-LUMO as obtained in the CAM-B3LYP/6-311+G(d) level of theor...
Frontiers molecular orbitals, HOMO, LUMO, energy gaps, ΔE and absolute hardness, η in eV for 14a inh...
Molecular orbital distribution plots of HOMO and LUMO in the ground state of D9 analogue and donepez...
<p>Highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital of compound...
<p>The optimized geometries and the surfaces of the frontier molecular orbital of a-e obtained at th...
<p>Molecular orbitals of the five quinoline derivatives obtained at the TD-B3LYP/6-31+G(d,p) theory ...
<p>Frontier electron densities (FEDHOMO2) on major atoms of dimethoate molecular at the RHF/STO-3 le...
The frontier molecular orbitals of heptalene (I), 8-H-cycloheptatropone (II), heptalen-3,8-dione (II...
<p>This calculation was carried out using Hyperchem Release 7.0 program package.</p
A comparison of the regional Fukui index evaluation within the frontier molecular orbital (FMO) Fuku...
It is common to introduce electron-donating or electron-withdrawing substituent groups into function...
A new empirical electronic descriptor, obtained from a molecular orbital calculation and applicable ...
Since the frontier-orbital theory was proposed at 1951 by Kenichi Fukui, it has been used successful...
It is common to introduce electron-donating or electron-withdrawing substituent groups into function...
It is common to introduce electron-donating or electron-withdrawing substituent groups into function...
<p>Molecular orbital plots, showing HOMO-LUMO as obtained in the CAM-B3LYP/6-311+G(d) level of theor...
Frontiers molecular orbitals, HOMO, LUMO, energy gaps, ΔE and absolute hardness, η in eV for 14a inh...
Molecular orbital distribution plots of HOMO and LUMO in the ground state of D9 analogue and donepez...
<p>Highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital of compound...
<p>The optimized geometries and the surfaces of the frontier molecular orbital of a-e obtained at th...
<p>Molecular orbitals of the five quinoline derivatives obtained at the TD-B3LYP/6-31+G(d,p) theory ...
<p>Frontier electron densities (FEDHOMO2) on major atoms of dimethoate molecular at the RHF/STO-3 le...
The frontier molecular orbitals of heptalene (I), 8-H-cycloheptatropone (II), heptalen-3,8-dione (II...
<p>This calculation was carried out using Hyperchem Release 7.0 program package.</p
A comparison of the regional Fukui index evaluation within the frontier molecular orbital (FMO) Fuku...
It is common to introduce electron-donating or electron-withdrawing substituent groups into function...
A new empirical electronic descriptor, obtained from a molecular orbital calculation and applicable ...
Since the frontier-orbital theory was proposed at 1951 by Kenichi Fukui, it has been used successful...
It is common to introduce electron-donating or electron-withdrawing substituent groups into function...
It is common to introduce electron-donating or electron-withdrawing substituent groups into function...
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