"the density functional theory" trang 2 - tải miễn phí từ tailieunhanh
Comparative density functional study of antioxidative activity of the hydroxybenzoic acids and their anions

Comparative density functional study of antioxidative activity of the hydroxybenzoic acids and their anions
11    39    3
Structures, stabilities and infrared spectra of AgnCr clusters (n=2-12) by density functional theory calculation

Structures, stabilities and infrared spectra of AgnCr clusters (n=2-12) by density functional theory calculation
6    18    1
Theoretical investigations on the molecular structure, vibrational spectroscopy, AIM, NBO, MEP, and HOMO-LUMO analysis of benzoic acid monomer and dimer based on density functional theory

Theoretical investigations on the molecular structure, vibrational spectroscopy, AIM, NBO, MEP, and HOMO-LUMO analysis of benzoic acid monomer and dimer based on density functional theory
12    38    1
Adsorption of light gases in covalent organic frameworks: comparison of classical density functional theory and grand canonical Monte Carlo simulations

Adsorption of light gases in covalent organic frameworks: comparison of classical density functional theory and grand canonical Monte Carlo simulations
8    20    1
Antioxidant potential of eight phenolic acids using high-performance density functional theory

Antioxidant potential of eight phenolic acids using high-performance density functional theory
12    16    1
Study of structural and electronic properties of graphene and some graphene derivatives based on orthorhombic unit cell by density functional theory

Study of structural and electronic properties of graphene and some graphene derivatives based on orthorhombic unit cell by density functional theory
9    14    1
Odd even high-order harmonic generation from helium atom approaching from time-dependent density functional theory

Odd even high-order harmonic generation from helium atom approaching from time-dependent density functional theory
13    6    1
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
6    8    1
Density functional theory insights into the bonding of CH3OH and CH3O with Ir(111) surface

Density functional theory insights into the bonding of CH3OH and CH3O with Ir(111) surface
7    31    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
Effect of external static electric field on some properties of iron thin film

Effect of external static electric field on some properties of iron thin film
9    76    0
A new insight of structures, bonding and electronic properties for 6-mercaptopurine and Ag8 clusters configurations: A theoretical perspective

A new insight of structures, bonding and electronic properties for 6-mercaptopurine and Ag8 clusters configurations: A theoretical perspective
10    90    0
Summary of Chemical PhD Thesis: Theoretical study of CO2 hydrogenation over Ni5, Ni5/MgO, Ni5/AC catalysts using density functional theory

Summary of Chemical PhD Thesis: Theoretical study of CO2 hydrogenation over Ni5, Ni5/MgO, Ni5/AC catalysts using density functional theory
25    38    1
DFT calculations on three 2,3-dihydrobenzofuran linked chalcones: Structural, HOMO-LUMO and spectroscopic (UV-Vis and IR) interpretation

DFT calculations on three 2,3-dihydrobenzofuran linked chalcones: Structural, HOMO-LUMO and spectroscopic (UV-Vis and IR) interpretation
11    7    1
A three month controlled intervention of intermittent whole body vibration designed to improve functional ability and attenuate bone loss in patients with rheumatoid arthritis

A three month controlled intervention of intermittent whole body vibration designed to improve functional ability and attenuate bone loss in patients with rheumatoid arthritis
7    43    1
Structures and properties of VB5 −/0 clusters from density functional theory calculations

Structures and properties of VB5 −/0 clusters from density functional theory calculations
9    52    2
Functional response of two coccinellid predators, Scymnus levaillanti and Cycloneda sanguinea, to the cotton Aphid, Aphis gossypii

Functional response of two coccinellid predators, Scymnus levaillanti and Cycloneda sanguinea, to the cotton Aphid, Aphis gossypii
9    83    0
IONIC LIQUIDS – CLASSES AND PROPERTIES

IONIC LIQUIDS – CLASSES AND PROPERTIES
360    67    0
Báo cáo khoa học:

Báo cáo khoa học: "A Effects of coagulation factor XIII on intestinal functional capillary density, leukocyte adherence and mesenteric plasma extravasation in experimental endotoxemia"
7    49    0
Ebook Computational chemistry: Part 1

Ebook Computational chemistry: Part 1
187    86    0