بر اساس عنوان
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DFT and CCSD(T) electronic properties and structures of aluminum clusters: Alnx (n = 1–9, x = 0, ±1)7
DFT and DRIFTS study on the vibrational spectra of formate species adsorbed on the Cu–Al2O3 catalyst8
DFT and experimental infrared study on electrochemically synthesized poly(3-methylthiophene) (P3MT)25
DFT and TD DFT study of isomeric linear benzodifuranones, benzodipyrrolinones and their homologues29
DFT and theoretical kinetics studies on the reaction of nitrate radical with α-pinene and β-pinene31
DFT Application to the Analysis of Quadrupole Coupling Constant of Aluminum Methyl Chloride Dimers35
DFT Based Simulations Study for Comparative Prediction of Reactivity and Stability of Thiadiazoles69
DFT calculations of the CO adsorption on Mn, Fe, Co, and Au deposited at MgO (1 0 0) and CdO (1 0 0)100
DFT investigation of copper–peptide complexes related to the octarepeat domain of the prion protein102
DFT investigation of high temperature water gas shift reaction on chromium–iron mixed oxide catalyst162
DFT studies of the structure, vibrational and NMR spectra
of 2-amino-pyridine betaine monohydrate256
DFT study of self-coupling reaction of CF2(ads) coadsorbed on Cu(111) surface for forming CF2=CF2(g)286
DFT study of the structure and IR spectra of Gc1 model compound built from cyclotriphosphazene core336
DFT study on the sulfurization mechanism during the desulfurization of H2S on the ZnO desulfurizer338
DFT study on the water-assisted mechanism for the reaction between VO+ and NH3 to yield VNH+ and H2O353
DFT, IR, Raman and NMR study of the coordination ability of coumarin-3-carboxylic acid to Pr(III)356
DFT, spectroscopic, and photoproduct study of 2-aminoethyldiphenylborinate and tetraphenyldiboroxane357
DFT, spectroscopic, and photoproduct study of 2-aminoethyldiphenylborinate and tetraphenyldiboroxane
389
DFT-based ranking of zinc-binding groups in histone deacetylase inhibitors Original Research Article393
DFT-BS examination of exchange coupling in chromium(III) dimers containing the μ1,2-squarato bridge419
D-Galactose-Based Signal-Enhanced Color Doppler Sonography of Breast Tumors and Tumorlike Lesions446
DGMRES: A GMRES-type algorithm for Drazin-inverse solution of singular non-symmetric linear systems453
DGT use in contaminated site characterization. The importance of heavy metal site specific behaviour477
DHPC Strongly Affects the Structure and Oligomerization Propensity of Alzheimerʹs Aβ(1–40) Peptide487
dHybrid: A massively parallel code for hybrid simulations of space plasmas Original Research Article490
Di- and polynuclear silver(I) derivatives with a new multitopic pyrimidine-base tri-thioether ligand549
Diabetes and Canadaʹs aboriginal peoples: the need for primary prevention Original Research Article632
Diabetes in Latin America and the Caribbean: Assessing differences in patterns among elderly people665
Diabetes mellitus and eating disorders: a multicenter study on the comorbidity of the two diseases671
DIABETES MELLITUS AND ITS CONCOMITANT DISORDERS IN AFGHAN REFUGEES RESIDING IN PESHAWAR, PAKISTAN721
Diabetes mellitus: CT findings of unusual complications related to the disease: A pictorial essay781
Diabetic Cardiomyopathy: Insights into Pathogenesis, Diagnostic Challenges, and Therapeutic Options788
Diabetic dermopathy (“shin spots”) and diabetic bullae (“bullosis diabeticorum”) at the same patient797
Diabetic Foot Burden: Experience at Diabetic Foot Care Clinic at Tertiary Care Hospital in Islamabad809
Diabetic heart is more sensitive to ischemic injury due to altered atp-dependent K+ channel function825
Diabetic Ketoacidosis: Demographic Data, Clinical Profile and Outcome in a
Tertiary Care Hospital826
Diabetic Ketoalkalosis after Steroid Pulse Therapy in a Patient with Pancreas Transplant Rejection847
Diabetic Nephropathy in Pregnancy: Suboptimal Hypertensive Control Associated With Preterm Delivery899
Diachronic long-term surveillance of bacteriological quality of bottled water in Greece (1995–2010)935
Diagenesis and paleofluid flow in the Devonian Southesk-Cairn carbonate complex in Alberta, Canada948
Diagenesis of a tight gas sand reservoir: Upper Cretaceous Mesaverde Group, Piceance Basin, Colorado952
Diagenesis of carbon and nutrients and benthic exchange in sediments of the Northern Adriatic Sea988
Diagenetic Dissolution of Biogenic Magnetite in Surface Sediments of the Benguela Upwelling System