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Ab initio study of the Ar CS2 (V1B2) intermolecular potential surface effect of van der Waals interaction on the emission of CS2 molecule
Integrating docking and molecular dynamics approaches for a series of proline-based 2 5-diketopiperazines as novel aB tubulin inhibitors
Vibrational spectra and assignments using ab initio and density functional theory analysis on the structure of biotin
Ab-initio study of structural and electronic properties of III-arsenide binary compounds
Experimental and CIS TD-DFT ab initio calculations of visible spectra and the vibrational frequencies of sulfonyl azide-azoic dyes
Experimental and CIS TD-DFT ab initio calculations of visible spectra and the vibrational frequencies of sulfonyl azide-azoic dyes
DFT and ab initio study of structure of dyes derived from 2-hydroxy and 2 4-dihydroxy benzoic acids
DFT and ab initio study of structure of dyes derived from 2-hydroxy and 2 4-dihydroxy benzoic acids
DFT and ab initio potential energy scan and hydrogen bond analysis of Na-substituted hydrazino acetamides characterization of the hydrazinoturn hydrogen bonding pattern
DFT Ab initio and FT-IR studies of the structure of sulfonamide Triazenes
DFT Ab initio and FT-IR studies of the structure of sulfonamide Triazenes
Ab initio and DFT study of tautomerism of pyrazolinones
Prepration and evalution of Pt-Ru/Acetylen Black (AB) catalyst for methanol electrooxidation
Prepration and evalution of Pt-Ru/Acetylen Black (AB) catalyst for methanol electrooxidation
بررسي پارامترهاي موثر در كشش عميق با سيستم ترمز ضد قفل (ABS)