Turnitin
降AI改写
早检测系统
早降重系统
Turnitin-UK版
万方检测-期刊版
维普编辑部版
Grammarly检测
Paperpass检测
checkpass检测
PaperYY检测
A computational investigation of the electronic properties of Octahedral Al n N n and Al n P n cages (n= 12, 16, 28, 36, and 48)
Density functionla theory (DFT) calculations are performed to characterize geometric and
electronic features of the octahedral Al n N n and Al n P n cages (n= 12, 16, 28, 32, and 48) …
electronic features of the octahedral Al n N n and Al n P n cages (n= 12, 16, 28, 32, and 48) …
Strain manipulation of the local spin flip on Ni@ B 80 endohedral fullerene
Using first principles, we theoretically investigate the strain manipulation of the ultrafast spin–
flip processes on the Ni@ B80 endohedral fullerene by using highly correlated quantum …
flip processes on the Ni@ B80 endohedral fullerene by using highly correlated quantum …
An investigation of curvature effects on the nitrogen and boron chemical shielding tensors as well as NICS characterization of BN nanotubes with Stone–Wales defects …
R Ghafouri, M Anafcheh - Superlattices and Microstructures, 2013 - Elsevier
A DFT study has been performed to investigate electronic and magnetic properties of
armchair (4, 4),(5, 5), and (6, 6) BNNTs with Stone–Wales defects based on 11B and 15N …
armchair (4, 4),(5, 5), and (6, 6) BNNTs with Stone–Wales defects based on 11B and 15N …
Carbon do** of defect sites in Stone–Wales defective boron-nitride nanotubes: a density functional theory study
M Anafcheh, R Ghafouri - Journal of Cluster Science, 2013 - Springer
We have performed a density functional theory study to investigate the effect of carbon
do** on Stone–Wales (SW) defective sites in the armchair (4, 4),(5, 5) and (6, 6) BNNTs, in …
do** on Stone–Wales (SW) defective sites in the armchair (4, 4),(5, 5) and (6, 6) BNNTs, in …
Density functional investigation of the electronic properties of B80 fullerene exposed to regioselective chemisorption of nucleophiles NH3, PH3 and AsH3
M Anafcheh, R Ghafouri - Superlattices and Microstructures, 2012 - Elsevier
DFT calculations at B3LYP/6-31G (d, p) level are applied to investigate the effect of
regioselective chemisorption of nucleophiles NH3, PH3 and AsH3 on the electronic …
regioselective chemisorption of nucleophiles NH3, PH3 and AsH3 on the electronic …
Nuclear spin relaxation in liquids and gases
J Kowalewski - 2013 - books.rsc.org
This report reviews the progress in the field of NMR relaxation in fluids. The emphasis is on
comparatively simple liquids and solutions of physico-chemical and chemical interest, in …
comparatively simple liquids and solutions of physico-chemical and chemical interest, in …
A computational investigation of electronic structure as well as 19F and 29Si chemical shielding tensors in the fluorinated silicon fullerenes SinFn (n≤ 60)
M Anafcheh, R Ghafouri - Physica E: Low-dimensional Systems and …, 2013 - Elsevier
Density functional theory (DFT) calculations are performed to investigate the electronic
features of the structures of fluorinated polysilanes SinFn (n= 4, 6, 8, 10, 12, 20, 24, 28, 30 …
features of the structures of fluorinated polysilanes SinFn (n= 4, 6, 8, 10, 12, 20, 24, 28, 30 …
Applications of spin–spin couplings
K Kamieńska-Trela, J Wójcik - 2014 - books.rsc.org
In this chapter, which is devoted to applications of spin–spin couplings, the literature
published between June 2012 and May 2013 has been reviewed. The data included has …
published between June 2012 and May 2013 has been reviewed. The data included has …
Investigation of curvature effects on the nitrogen and boron electric field gradient and chemical shielding tensors in the mono-BN-substituted fullerenes: A density …
M Anafcheh, R Ghafouri - Physica E: Low-dimensional Systems and …, 2012 - Elsevier
The density functional theory is used to investigate the effects of local structures and
curvature on the nitrogen and boron electric field gradients and chemical shielding tensors …
curvature on the nitrogen and boron electric field gradients and chemical shielding tensors …
Theoretical Investigation of Mono and Multiply Oxygenated C70 Fullerenes
M Anafcheh, R Ghafouri - Journal of Cluster Science, 2014 - Springer
We have applied DFT calculations to investigate atomic arrangements of fullerene oxides, C
70 O n with n= 1, 5, 15, 20, and 25. The oxidation reaction energies are generally …
70 O n with n= 1, 5, 15, 20, and 25. The oxidation reaction energies are generally …