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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

6 0 0
13 trang
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

7 0 0
11 trang
Theoretical investigation of the effect of different π-spacers on the performance of dye-sensitized solar cells based on quinoline

Theoretical investigation of the effect of different π-spacers on the performance of dye-sensitized solar cells based on quinoline

7 0 0
6 trang
Ebook Concepts, methods and applications of quantum systems in chemistry and physics: Selected proceedings of QSCP-XXI (Vancouver, BC, Canada, July 2016)

Ebook Concepts, methods and applications of quantum systems in chemistry and physics: Selected proceedings of QSCP-XXI (Vancouver, BC, Canada, July 2016)

6 0 0
406 trang
Vibrational study of the hydrogen adsorption on the missing row platinum (110) surface

Vibrational study of the hydrogen adsorption on the missing row platinum (110) surface

3 0 0
8 trang
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

7 0 0
45 trang
A study of the (ZrO2)n (n = 1/11) clusters by density functional theory

A study of the (ZrO2)n (n = 1/11) clusters by density functional theory

18 0 0
8 trang
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

6 0 0
16 trang
Antioxidant potential of eight phenolic acids using high-performance density functional theory

Antioxidant potential of eight phenolic acids using high-performance density functional theory

11 0 0
12 trang
Geometries, stability and dissociation behavior of AgnCo clusters (n = 1-12): A theoretical investigation

Geometries, stability and dissociation behavior of AgnCo clusters (n = 1-12): A theoretical investigation

9 0 0
7 trang
Opto-electronic properties of small ZnO2 nanoparticles: First-principles insights

Opto-electronic properties of small ZnO2 nanoparticles: First-principles insights

13 0 0
14 trang
Investigation on structural, electronic and magnetic properties of perovskites SrMO3 (M = Mn and Co) via GGA and GGA + U methods

Investigation on structural, electronic and magnetic properties of perovskites SrMO3 (M = Mn and Co) via GGA and GGA + U methods

7 0 0
8 trang
Characterizing magnesiumesilicon binaries in AleMgeSi supersaturated solid solution by first-principles calculations

Characterizing magnesiumesilicon binaries in AleMgeSi supersaturated solid solution by first-principles calculations

14 0 0
4 trang
Transport in a fullerene terminated aromatic molecular device

Transport in a fullerene terminated aromatic molecular device

13 0 0
7 trang
The adsorption of toxic gas molecules (CO, CO2, NO2) on silicene, germanene and stanene: A first principles study

The adsorption of toxic gas molecules (CO, CO2, NO2) on silicene, germanene and stanene: A first principles study

16 0 0
15 trang
Zinc-doped silicene nanoribbons under the influence of constant electric field: A DFT study

Zinc-doped silicene nanoribbons under the influence of constant electric field: A DFT study

18 0 0
8 trang
Germanene as potential material for sensor of toxic gases CO2, SO2, and CH4: A DFT study

Germanene as potential material for sensor of toxic gases CO2, SO2, and CH4: A DFT study

11 0 0
12 trang
Magnetic anisotropy of ultrathin Pd4Co(111) film by first-principles calculations

Magnetic anisotropy of ultrathin Pd4Co(111) film by first-principles calculations

10 0 0
11 trang