"Density functional theory studies" trang 1 - tải miễn phí từ tailieunhanh
Experimental and computational studies on the absorption properties of novel formazan derivatives

Experimental and computational studies on the absorption properties of novel formazan derivatives
31    47    1
Experimental and theoretical studies on cis-dioxomolybdenum(VI) complexes of ONN-donor thiosemicarbazone

Experimental and theoretical studies on cis-dioxomolybdenum(VI) complexes of ONN-donor thiosemicarbazone
45    58    1
DFT (density functional theory) studies on cycloisomerization of 15–membered triazatriacetylenic macrocycle

DFT (density functional theory) studies on cycloisomerization of 15–membered triazatriacetylenic macrocycle
16    61    1
Density functional theory-supported studies of structural and electronic properties of substituted-phenol derivatives synthesized by efficient O- or C-arylation via Chan–Lam or Suzuki cross-coupling reactions

Density functional theory-supported studies of structural and electronic properties of substituted-phenol derivatives synthesized by efficient O- or C-arylation via Chan–Lam or Suzuki cross-coupling reactions
16    34    1
Corrosion inhibition perfomance of four natural thiazole derivatives: Quantum chemical and monte carlo simulation studies

Corrosion inhibition perfomance of four natural thiazole derivatives: Quantum chemical and monte carlo simulation studies
16    76    0
Quantum chemical studies on binding of cis cis-[PtCl2(iPram)(Hpz)] to guanosine

Quantum chemical studies on binding of cis cis-[PtCl2(iPram)(Hpz)] to guanosine
12    72    0
Schiff base of isoniazid and ketoprofen: synthesis, X-ray crystallographic, spectroscopic, antioxidant, and computational studies

Schiff base of isoniazid and ketoprofen: synthesis, X-ray crystallographic, spectroscopic, antioxidant, and computational studies
23    55    1
Quantitative structure-activity relationship and molecular docking studies of a series of quinazolinonyl analogues as inhibitors of gamma amino butyric acid aminotransferase

Quantitative structure-activity relationship and molecular docking studies of a series of quinazolinonyl analogues as inhibitors of gamma amino butyric acid aminotransferase
11    102    0
Computational studies of 2-(4-oxo-3-phenylthiazolidin-2-ylidene) malononitrile

Computational studies of 2-(4-oxo-3-phenylthiazolidin-2-ylidene) malononitrile
11    79    0
Palladium(0) catalyzed Suzuki cross-coupling reaction of 2,5-dibromo-3-methylthiophene: Selectivity, characterization, DFT studies and their biological evaluations

Palladium(0) catalyzed Suzuki cross-coupling reaction of 2,5-dibromo-3-methylthiophene: Selectivity, characterization, DFT studies and their biological evaluations
12    76    0
Facile synthesis of N- (4-bromophenyl)-1- (3-bromothiophen-2-yl)methanimine derivatives via Suzuki cross-coupling reaction: Their characterization and DFT studies

Facile synthesis of N- (4-bromophenyl)-1- (3-bromothiophen-2-yl)methanimine derivatives via Suzuki cross-coupling reaction: Their characterization and DFT studies
9    85    0
Combined computational and experimental studies on cysteine-sulfadiazine adduct formation

Combined computational and experimental studies on cysteine-sulfadiazine adduct formation
27    46    1
Design, synthesis, and spasmolytic activity of thiophene-based derivatives via Suzuki cross-coupling reaction of 5-bromothiophene-2-carboxylic acid: Their structural and computational studies

Design, synthesis, and spasmolytic activity of thiophene-based derivatives via Suzuki cross-coupling reaction of 5-bromothiophene-2-carboxylic acid: Their structural and computational studies
13    21    1
DFT studies of the copper active site in AA13 polysaccharide monooxygenases

DFT studies of the copper active site in AA13 polysaccharide monooxygenases
4    15    1