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Keyword [density functional theory (DFT)]
Result: 41 - 60 | Page: 3 of 10
41. Quantum Chemical Calculation, Synthesis, Characterization And Crystal Structure Of Supramolecular Compounds
42. Theoretical Study On The Electronic Structures Of Alkylimidazolium Based Ionic Liquids And Their Catalytic Reaction Mechanism
43. The Quantum Study Of The Bimetallic Phosphido-Bridged Complex
44. A DFT Study On The Influences Of Step Structure And Adsorbed Oxygen On Nickel Surface On Dissociation Process Of Methane
45. Theoretical Study On The Several Microcosmic Reaction Mechanisms And Dynamics Property Of Organosulfur Radical Molecules
46. DFT Study On Mechanism Of Several Transition Metal-Catalyzed Asymmetric Reaction
47. Theoretical Study On The Nonlinear Optical Properties Of Dinuclear D～(10) Transition Metal Acetylides Using The TDDFT-SOS Method
48. The Density Functional Study On Lindqvist-Polyoxometalate [Mo6O19]～(2-) And Its Two Isomers Have Been Investigated
49. An Exploring Study On Metastable Polynitrogen Cluster Compounds
50. Density Functional Theory Study Of Electronic Structure And Spectra Of Transition Metal Complexes Of N-confused Porphyrins
51. Study On The Structures And Properties Of Quercetin And Some Other Flavonoids
52. Density Functional Theory Study On Porphyrin Derivates
53. Quantum Chemistry Study For Coordination Effect Of Crown Ethers And Corrosion Inhibition Effect Of Bipyrazole Derivatives
54. Density Functional Theory (DFT) Study On The Adsorption Of CO2 On Cu2O (111) Surface
55. Theoretical Study Of The Mechanism Of Aluminum Carbenoid Promoted Cyclopropanation Reactions With Ethylene
56. Theoretical Study On The Electronic Structure Of L-Tyrosine-Pillared Layered Double Hydroxides
57. A DFT Study On Formation Of Bisaryloxime Ether From Benzaldehyde And Phenoxyamine
58. QSAR Studies Of Bioactivity Of Isothiazolone And Indole Derivatives
59. First-Principles Studies For The Interaction Between Gold Cluster And CO, O2, H2O
60. Theoretical Study On Redox And NLO Properties Of Keggin And Lindqvist POMs
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