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Ab initio and semiempirical conformational and configurational analysis of N-2-(1 4dioxane)-N -(4-methylbenzenesulfonyl)-O-(4-methylphenoxy)isourea
Ab-initio study of structural and electronic properties of III-arsenide binary compounds
Vibrational spectra and assignments using ab initio and density functional theory analysis on the structure of biotin
DFT and ab initio calculations of the vibrational frequencies and visible spectra of triazenes derived from cyclic amines
DFT and ab initio calculations of the vibrational frequencies and visible spectra of triazenes derived from cyclic amines
Highly anisotropic thermal conductivity of arsenene An ab initio study
MP2 DFT and ab initio calculations on thioxanthone
بهينه سازي متغيرهاي سيستم ترمز ضدقفل (ABS) جهت استفاده در كشش عميق
AN INVESTIGATION INTO VALIDATION OF DEEP DRAWING WITH ABS
Ab initio and DFT studies of hydrogen bond interactions in difluoroacetic acid dimer
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 ab initio NMR and NBO analyses of Na-substituted hydrazino acetamides experimental VS theoretical values
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