"the density functional theory" trang 3 - tải miễn phí từ tailieunhanh
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
Theoretical evaluation of the pKa values of 5-substitued uracil derivatives

Theoretical evaluation of the pKa values of 5-substitued uracil derivatives
9    99    2
Neutral and cationic titanium doped silicon clusters: Growth mechanism and stability

Neutral and cationic titanium doped silicon clusters: Growth mechanism and stability
12    84    0
Theoretical study on the reaction mechanism of CO2 formation from acyloxy radicals

Theoretical study on the reaction mechanism of CO2 formation from acyloxy radicals
7    70    0
First-principles Calculations on Electronic Properties of LaNiO3 in Solid Oxide Fuel Cell Cathodes

First-principles Calculations on Electronic Properties of LaNiO3 in Solid Oxide Fuel Cell Cathodes
5    90    0
Theoretical Prediction of ZnO Nanoporous Allotropes with Triangular Hollow

Theoretical Prediction of ZnO Nanoporous Allotropes with Triangular Hollow
10    70    0
Tuning the Electronic Structure of Si1-xGex Alloys

Tuning the Electronic Structure of Si1-xGex Alloys
6    88    0
A theoretical investigation on vibrational infrared spectra of SinMn2 + atomic clusters (N = 5 9)

A theoretical investigation on vibrational infrared spectra of SinMn2 + atomic clusters (N = 5 9)
8    96    0
Stability and electronic properties of isomorphous substituted Si7-xMnx +

Stability and electronic properties of isomorphous substituted Si7-xMnx +
7    66    0
The effects of hydrostatic pressure on MBH4 (M = k, na) structures

The effects of hydrostatic pressure on MBH4 (M = k, na) structures
7    63    0
A computational study on structure and stability of nitrogen-doped titanium clusters TinN (n = 1-10)

A computational study on structure and stability of nitrogen-doped titanium clusters TinN (n = 1-10)
6    74    0
Ebook Introduction to computational chemistry (2nd edition): Part 1

Ebook Introduction to computational chemistry (2nd edition): Part 1
289    86    1
Antioxidant properties of folic acid: A DFT study

Antioxidant properties of folic acid: A DFT study
7    75    0
A first principles study on electronic and magnetic properties of defects in ZnO/GaN core-shell nanowire heterostructures

A first principles study on electronic and magnetic properties of defects in ZnO/GaN core-shell nanowire heterostructures
9    60    0
Artificial muscles based on ultra-small single-walled carbon nanotubes

Artificial muscles based on ultra-small single-walled carbon nanotubes
5    87    0
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
Antioxidant properties of folic acid: A DFT study

Antioxidant properties of folic acid: A DFT study
7    65    0
Identification of quantitative trait loci for increased α-tocopherol biosynthesis in wild soybean using a high-density genetic map

Identification of quantitative trait loci for increased α-tocopherol biosynthesis in wild soybean using a high-density genetic map
15    85    0
A theoretical investigation on vibrational infrared spectra of SinMn2 + atomic clusters (n = 5-9)

A theoretical investigation on vibrational infrared spectra of SinMn2 + atomic clusters (n = 5-9)
8    117    0