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451. Exploring Exemplary Optoelectronic and Charge Transport Properties of KCuX(X=Se,Te).

452. High-Pressure Studies of Hydrogen-Bonded Energetic Material 3,6-Dihydrazino- s -tetrazine Using DFT.

453. Topological behaviour of ternary non-symmorphic crystals KZnX (X = P, As, Sb) under pressure and strain: a first principles study.

454. Role of spin-orbit interaction on the nonlinear optical response of CsPbCO 3 F using DFT.

455. Evidence for the antiferromagnetic ground state of Zr 2 TiAl: a first-principles study.

456. Two-dimensional silicon and carbon monochalcogenides with the structure of phosphorene.

457. ZnGeSb 2 : a promising thermoelectric material with tunable ultra-high conductivity.

458. Calculated high-pressure structural properties, lattice dynamics and quasi particle band structures of perovskite fluorides KZnF3, CsCaF3 and BaLiF3.

459. Predicted superconductivity of Ni2VAl and pressure dependence of superconductivity in Ni2NbX (X  =  Al, Ga and Sn) and Ni2VAl.

460. Predicted thermoelectric properties of olivine-type Fe2GeCh4 (Ch  =  S, Se and Te).

461. Structural, electronic and optical properties of well-known primary explosive: Mercury fulminate.

462. Phase stability and lattice dynamics of ammonium azide under hydrostatic compression.

463. Effect of Pressure on Valence and Structural Properties of YbFe2Ge2 Heavy Fermion Compound--A Combined Inelastic X-ray Spectroscopy, X-ray Diffraction, and Theoretical Investigation.

464. Structural stability, vibrational, and bonding properties of potassium 1, 1'-dinitroamino-5, 5'-bistetrazolate: An emerging green primary explosive.

465. Phase transitions in rare earth tellurides under pressure.

466. Polymorphism and thermodynamic ground state of silver fulminate studied from van der Waals density functional calculations.

467. Density functional study of electronic structure, elastic and optical properties of MNH2 (M=Li, Na, K, Rb).

468. High-pressure study of binary thorium compounds from first principles theory and comparisons with experiment.

469. Structural, vibrational, and quasiparticle band structure of 1,1-diamino-2,2-dinitroethelene from ab initio calculations.

470. A DFT study on structural, vibrational properties, and quasiparticle band structure of solid nitromethane.

471. Pressure induced structural phase transition in solid oxidizer KClO3: a first-principles study.

472. Pressure-induced valence and structural changes in YbMn2Ge2-inelastic X-ray spectroscopy and theoretical investigations.

473. Lattice instability and martensitic transformation in LaAg predicted from first-principles theory.

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