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First synthesis of an α-d-Fucp3NAc containing oligosaccharide: a study on d-Fucp3NAc glycosylation86

First synthesis of enantiomerically pure carbocyclic oxanosine as a potential chemotherapeutic agent95

First synthesis of nitro-substituted 2,2-diphenyl-2H-1-benzopyrans via the ipso-nitration reaction101

First synthesis of picealactone C. A new route toward taxodione-related terpenoids from abietic acid158

First tests of a thin natural diamond detector as an energy spectrometer for low-energy heavy ions159

First tests of a thin natural diamond detector as an energy spectrometer for low-energy heavy ions186

First total syntheses of the 1,2,3,4-tetrahydronaphtho[2,1-f]isoquinolines annoretine and litebamine250

First total synthesis of structurally unique flavonoids and their strong anti-inflammatory effect253

First total synthesis of the 7,6′-coupled antifungal naphthylisoquinoline alkaloid dioncophylline B269

First total synthesis of two new diglycosides, neohancosides A and B, from Cynanchum hancockianum272

First total synthesis of xestobergsterol A and active structural analogues of the xestobergsterols273

First total synthesis of yanuthones: novel farnesylated epoxycyclohexenoid marine natural products317

First vorticity–velocity–pressure numerical scheme for the Stokes problem Original Research Article335

First X-ray structural characterisation of host–guest interactions in tetra-tetrazole macrocycles372

First-episode psychosis: An epidemiological survey comparing psychotic depression with schizophrenia420

First-order differential sensitivity analysis of a nuclear safety system by Monte Carlo simulation421

First-order differential sensitivity analysis of a nuclear safety system by Monte Carlo simulation427

First-Order Formulation for Functionally Graded Stiffened Cylindrical Shells Under Axial Compression445

First-order intertwining operators and position-dependent mass Schrödinger equations in d dimensions465

First-order phase transition in ferroelectric superlattice described by the transverse Ising model478

First-order reversal curve (FORC) diagrams for pseudo-single-domain magnetites at high temperature514

First-passage failure of quasi-integrable Hamiltonian systems under time-delayed feedback control544

First-principle calculations of structural, elastic and thermodynamic properties of Fe–B compounds559

First-principle molecular-dynamics study of hydrogen adsorption on an aluminum-doped carbon nanotube610

First-principles based investigation on effects of magnetism on lattice dynamics in Fe72Pd28 alloy632

First-principles calculation of particle formation in emulsion polymerization: pseudo-bulk systems652

First-principles calculations and phenomenological modeling of lattice misfit in Ni-base superalloys665

First-principles calculations for geometrical structures and electronic properties of Si-doped TiO2672

First-principles calculations for structural phase transition of LixFeS2
Original Research Article681

First-principles calculations of binary Al compounds: Enthalpies of formation and elastic properties686

First-principles calculations of electronic and magnetic properties of carbon doped TiO2 clusters696

First-principles calculations of ethanethiol adsorption and decomposition on GaN (0 0 0 1) surface714

First-principles calculations of oxygen vacancies and cerium substitution in lutetium pyrosilicate723

First-principles calculations of pure elements: Equations of state and elastic stiffness constants730

First-principles calculations of structural, elastic and electronic properties of CsCaF3 compound753

First-principles calculations of the structural and elastic properties of β-FeSi2 at high-pressure768

First-principles calculations of vibrational and thermodynamical properties of rare-earth diborides781

First-principles calculations on mechanical and elastic properties of 2H- and 3R-WS2 under pressure785

First-principles calculations on structural, magnetic and electronic properties of oxygen doped BiF3793

First-principles calculations on the electronic structure of TiCxN1−x, ZrxNb1−xC and HfCxN1−x alloys810

First-principles density-functional calculations on the field emission properties of BN nanocones861

First-principles investigation of R2O3(ZnO)3 (R=Al, Ga, and In) in homologous series of compounds866

First-principles investigation of structural, electronic and dynamical properties in ScAuSn alloy894

First-principles investigation on shear deformation of a TiAl/Ti3Al interface and effects of oxygen896

First-principles investigation on the corrosion resistance of rare earth disilicates in water vapor900

First-principles investigation on the structural stability of methane and ethane clathrate hydrates905

First-principles investigations of low-coverage Ca-induced reconstructions on the Si(001) surface913

First-principles investigations on elastic and thermodynamic properties of zirconium under pressure925

First-principles lattice dynamical study of lanthanum nitride under pseudopotential approximation951

First-principles multi-electron calculations for L2,3 ELNES/XANES of 3d transition metal monoxides952

First-principles multi-electron calculations for L2,3 ELNES/XANES of 3d transition metal monoxides953

First-principles multi-electron calculations for L2,3 ELNES/XANES of 3d transition metal monoxides970

First-principles prediction of yield stress for basal slip in Mg–Al alloys Original Research Article