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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
The excited-states intermolecular potential energy surfaces of the Ar CS2 van der Waals complex Ab initio study
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
Ab-initio study of hydrogen doping and oxygen vacancy at anatase TiO2 surface
Effect of reprocessing on shrinkage and mechanical properties of ABS and investigating the proper blend of virgin and recycled ABS in injection molding
Effect of reprocessing on shrinkage and mechanical properties of ABS and investigating the proper blend of virgin and recycled ABS in injection molding
Ab initio study of the Ar CS2 (V1B2) intermolecular potential surface effect of van der Waals interaction on the emission of CS2 molecule
Ab initio intermolecular potential energy surface of Ne...NCCN van der waals complex effect of the place of midbond function on the interaction
Computational design of Tryprostatin-A derivatives as novel aB tubulin inhibitors
Genetic Perspective of Ascites Syndrome in Meat Type Chickens Iranian Journal of Applied Animal Science
Integrating docking and molecular dynamics approaches for a series of proline-based 2 5-diketopiperazines as novel aB tubulin inhibitors
Ab initio and DFT studies of hydrogen bond interactions in difluoroacetic acid dimer
DFT ab initio NMR and NBO analyses of Na-substituted hydrazino acetamides experimental VS theoretical values
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