| Fast and selective determination of the gasodor S-free using ion mobility spectrometer equipped with corona discharged ionization source: Theoretical study, experimental optimization and field test |
10.1016/j.fuel.2022.123597 |
1400 |
11 |
Journal |
| Decomposition of the interaction energy of several flavonoids with Escherichia coli DNA Gyr using the SAPT (DFT) method: The relation between the interaction energy components, ligand structure, and biological activity |
NULL |
1400 |
11 |
Journal |
| Application of cyclometalated rhodium(III) complexes as therapeutic agents in biomedical and luminescent cellular imaging |
NULL |
1400 |
10 |
Journal |
| In situ generated Ligand-Free gold nanoparticles in polyvinylpyrrolidone solution assisted laser in liquid method for green oxidation of cyclohexane to adipic acid with high yield |
NULL |
1400 |
10 |
Journal |
| Pd/Cu-Free Cobalt-Catalyzed Suzuki and Heck Using Green Bio-Magnetic Hybrid and DFT-Based Theoretical Study |
10.1007/s10562-020-03487-3 |
1400 |
07 |
Journal |
| Using surfactants as matrix for the matrix-assisted laser desorption/ ionization time of flight mass spectrometry (MALDI-TOF-MS) of amino acids: Sodium dodecyl sulfate (SDS) and sodium octyl sulfate (SOS) |
NULL |
1400 |
05 |
Journal |
| A DFT study of the water-splitting photocatalytic properties of pristine, Nb-doped, and V-doped Ta3N5 monolayer nanosheets |
NULL |
1400 |
05 |
Journal |
| Electrocatalytic cleavage of a carbon-chlorine bond by Re(IV)-chloro complex: a mechanistic insight from DFT |
10.1007/s10800-021-01607-4 |
1400 |
04 |
Journal |
| Enhancement of photocatalytic oxidation of benzyl alcohol by edge-functionalized modified carbon nitride: A DFT evaluation |
10.1016/j.jphotochem.2021.113452 |
1400 |
04 |
Journal |
| Li + and Na + attachment to some dipeptides via LDI-TOF mass spectrometry: Fragmentation patterns |
NULL |
1400 |
03 |
Journal |
| A facile method for sample preparation of ore for quantitative analysis by laser desorption ionization-time of flight mass spectrometry using an internal standard |
NULL |
1400 |
03 |
Journal |
| A comparative theoretical study of the chiral discrimination of phenylalanine enantiomers by the cyclic peptides with different sizes as discriminating agents: A DFT study |
NULL |
1400 |
03 |
Journal |
| Theoretical study of the vapochromic properties of a mononuclear Pd (II) complex with piroxicam ligands for the detection of the vapor of several solvents |
NULL |
1400 |
02 |
Journal |
| Dinuclear Nickel(II) and Copper(II) Complexes of 8-Quinoline-1 -H-pyrazole-3-carboxamide: Crystal Structure, Magnetic Properties, and DFT Calculations |
10.1002/ejic.202100142 |
1400 |
02 |
Journal |
| Interaction of M@Au12 nanocluster (M = Au, Ag, Pd, and Pt) with different forms of cysteine (uncharged, cationic, anionic, and zwitterion) via the Au-S bond |
NULL |
1400 |
01 |
Journal |
| Mechanistic insight into the hydrogenation of acetylene on the Pd2/g-C3N4 catalyst: effect of Pd clustering on the barrier energy and selectivity |
NULL |
1400 |
01 |
Journal |
| Electrocatalytic property, anticancer activity, and density functional theory calculation of [NiCl(P^N^P)]Cl.EtOH |
10.1002/aoc.6092 |
1399 |
11 |
Journal |
| Sodium salts effect on the time of flight mass spectra of some amino acids in the direct-laser desorption ionization and matrix-assisted laser desorption/ionization |
NULL |
1399 |
11 |
Journal |
| A TD-DFT study of the excited dissociative electronic states of the DNA nucleobases bound to Li+ |
NULL |
1399 |
10 |
Journal |
| Water-vapochromic behavior of a mononuclear Pd(II) complex of piroxicam: A DFT and TD-DFT study |
NULL |
1399 |
10 |
Journal |