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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
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 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
Ab-initio study of structural and electronic properties of III-arsenide binary compounds
Molecular Dynamics and ab Initio Studies of the Effects of Substituent Groups on the Thermodynamic Properties and Structure of Four Selected Imidazolium-Based Tf2N- Ionic Liquids
The excited-states intermolecular potential energy surfaces of the Ar CS2 van der Waals complex Ab initio study
AN INVESTIGATION INTO VALIDATION OF DEEP DRAWING WITH ABS
Genetic Perspective of Ascites Syndrome in Meat Type Chickens Iranian Journal of Applied Animal Science
Highly anisotropic thermal conductivity of arsenene An ab initio study