Ab initio calculations trang 1 tải miễn phí từ tailieunhanh

"Ab initio calculations" trang 1 - tải miễn phí từ tailieunhanh

Synthesis, characterization and RHF/ab initio simulations of 2-amino-1,3,4-thiadiazole and its annulated ring junction pyrimidine derivatives

Synthesis, characterization and RHF/ab initio simulations of 2-amino-1,3,4-thiadiazole and its annulated ring junction pyrimidine derivatives

5 90 0

Prediction of cross second virial coefficients for dimer H2-O2 from AB initio calculations of intermolecular potentials

Prediction of cross second virial coefficients for dimer H2-O2 from AB initio calculations of intermolecular potentials

7 73 0

Trùng Prediction of cross second virial coefficients for dimer H2-O2 from AB initio calculations of intermolecular potentials

Trùng Prediction of cross second virial coefficients for dimer H2-O2 from AB initio calculations of intermolecular potentials

7 80 0

Adsorption of 2-butanone on pristine graphene: A first-principles study

Adsorption of 2-butanone on pristine graphene: A first-principles study

9 47 1

Monte carlo simulation of vapor - liquid equilibria of hydrogen using ab initio intermolecular potentials

Monte carlo simulation of vapor - liquid equilibria of hydrogen using ab initio intermolecular potentials

6 91 0

Báo cáo khoa học: Netropsin interactions in the minor groove of d(GGCCAATTGG) studied by a combination of resolution enhancement and ab initio calculations

Báo cáo khoa học: Netropsin interactions in the minor groove of d(GGCCAATTGG) studied by a combination of resolution enhancement and ab initio calculations

11 85 0

Electronic structure, elastic and optical properties of MnIn2S4

Electronic structure, elastic and optical properties of MnIn2S4

9 81 1

Theoretical investigation of the interaction between monohalogenated ethenes and hydrogen peroxide

Theoretical investigation of the interaction between monohalogenated ethenes and hydrogen peroxide

8 51 1

Crystal structure and vibrational spectra of bis(2‒isobutyrylamidophenyl)amine: a redox noninnocent ligand

Crystal structure and vibrational spectra of bis(2‒isobutyrylamidophenyl)amine: a redox noninnocent ligand

33 60 3

V-doped TiO2 anatase: Calculation and experiment

V-doped TiO2 anatase: Calculation and experiment

8 28 1