182 research outputs found
Quatum chemical studies on molecular structure and reactivity descriptors of some p-nitrophenyl tetrathiafulvalenes by density functional theory (DFT)
International audienc
Molecular Structure, HOMO-LUMO, MEP and Fukui Function Analysis of Some TTF-donor Substituted Molecules Using DFT (B3LYP) Calculations
International audienc
Molecular Structure, HOMO-LUMO, MEP and Fukui Function Analysis of Some TTF-donor Substituted Molecules Using DFT (B3LYP) Calculations
International audienc
Quatum chemical studies on molecular structure and reactivity descriptors of some p-nitrophenyl tetrathiafulvalenes by density functional theory (DFT)
International audienc
Programmed site-selective palladium catalyzed arylations of thieno[3,2-b]thiophene
International audienc
Theoretical analysis and molecular orbital studies of a series of 1,4,3,5-oxathiadiazepane-4,4-dioxides derived of sarcosine
International audienc
Molecular structure, hyperpolarizability, NBO and Fukui function analysis of a serie of 1,4,3,5-oxathiadiazepane-4,4-dioxides derived of proline
International audienc
Computational studies of global and local reactivity descriptors of some trimethyltetrathiafulvalenylthiophene molecules (tMeTTF-TP) by density functional theory (DFT)
International audienc
- …