نمایش نتایج جستجو برای
نویسنده: وکیلی
زبان مقاله: انگلیسی
کلمات کلیدی: DFT
موارد یافت شده: 20
1 - Structure and conformation of lidocaine and Prilocaine. A DFT study (چکیده)2 - Structure and vibrational spectra of methyl 3-(methylamino)-2-Butenoate. A density functional theoretical study (چکیده)
3 - Structure and vibrational analysis of methyl 3-amino-2-butenoate (چکیده)
4 - The theoretical and experimental 1H NMR study of some beta-diketones (A DFT calculation (چکیده)
5 - Vibrational assignment and structure of N-phenylthiobenzamide - A DFT approach (چکیده)
6 - Structure and isomeric studies of 1,3-diaryl-H-benzo[f]chromene, catalyst effect or thermodynamic stability? An ab initio study (چکیده)
7 - Structure and vibrational assignment of bis(benzoylacetonato)copper(II) (چکیده)
8 - A facile one-pot synthesis of functionalized fused benzochromene derivatives via intramolecular Wittig reactions (چکیده)
9 - Structure of 2,4,5-triphenyl-1H-Imidazole and the substitution effect of F, Cl, and OH groups in para position of 2-Ph ring; A DFT study (چکیده)
10 - Structure and vibrational assignment of bis(benzoylacetone)copper(II) (چکیده)
11 - Metal-Ligand Bond Vibrations In Alkaline Earth Metal Acetylacetonates (چکیده)
12 - Structure And Vibrational Analysis Of Ethyl 3-Amino-2-Butenoate (چکیده)
13 - The structure study of 1,3-diaryl-3H-benzo[f]chromenes (چکیده)
14 - Effect of t-butyl substitutions in β position on the enol-keto equilibrium and intramolecular hydrogen bond strength of β-dicarbonyl: A vibrational spectroscopy and DFT study (چکیده)
15 - Conformational analysis and intramolecular hydrogen bond strength of methyl 3-aminocrotonate (چکیده)
16 - The effect of phenyl substitutions on the structure and metal- ligand bond strength of copper acetylacetonate. A DFT study. (چکیده)
17 - Synthesis, characterization, crystal structure determination, computational study, and thermal decomposition into NiO nano-particles of a new NiIIL2 Schiff base complex (L = 2-{(E)-[2-chloroethyl)imino]methylphenolate) (چکیده)
18 - Very strong intramolecular hydrogen bonding of 1,2-dithenoylcyclopentadiene; DFT and spectroscopic studies (چکیده)
19 - Vibrational assignment of calcium acetylacetonate (چکیده)
20 - N-bromosuccinimide (NBS)-promoted, threecomponent synthesis of a,b-unsaturated isoxazol-5(4H)- ones, and spectroscopic investigation and computational study of 3-methyl-4-(thiophen-2-ylmethylene)isoxazol- 5(4H)-one (چکیده)
