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Keyword [Density-functional]
Result: 41 - 60 | Page: 3 of 10
41. Quasi-Relativistic Density Functional Study Of Strong Closed-Shell Interaction
42. B3LYP Hybrid Density Functional Study On Some New Materials
43. Theoretical Studies On The Structures And Catalytic Activiteis Of Framework Incorporated MFI Type Zeolite
44. Theoretical Study Of The Organic Nonlinear Optical Materials Using The TDDFT-SOS Method
45. Theoretical Studies On The Kinetics Of Thermal Degradation Of Hydroxylalkylpolysiloxanes
46. Theoretical Investigations On The Intermolecular Interactions Among Some Compounds
47. Theoretical Study On The Nitroaromatics' QSAR And Toxic Mechanism
48. Molecular Design Of High Energy Density Materials (HEDM)-Cyclic Nitramines
49. Experimental And Theoretical Studies On The Thermal Stability Of Nitrates
50. Theoretical Investigation On The Direct Amination And Hydroxylation Of Benzene Catalyzed By Vanadium-Based Catalysts
51. Theoretical Study On Non-classical Thiophene And Molecular Design Of Organic Conductor
52. First-Principles Study Of Molecular Symmetry And Chirality: Carbyne Knots And Amino Acids
53. A Study On Synthesis And Inhibition Mechanism Of β-Amino Alcohols As Volatile Corrosion Inhibitors
54. Coal Adsorption To Oxygen Molecules Mechanism Research
55. Relativistic Density Functional Studies On The Catalytic Reactivity Of Platinum Clusters In The Gas Phase
56. Study On The Adsorption Removal Of SO2 And NOx From Flue Gas With Industrial Semi-Cokes
57. Computational Quantum Chemical Investigation On Heterospin System Consisting Of Metal(Ⅱ) Ion And Aminoxyl Radicals By Using Broken Symmetry Approach And Density Functional Theory
58. Theoretical Study On Magnetic Properties Of The 3d-Transition-metal-substituted Polyoxometalates Using The DFT-BS Method
59. Theoretical Study Of Electronic Properties In Keggin-type Polyoxometalate Derivatives
60. Quantum Chemistry Study On The Reactions Of Light Hydrocarbons Conversion Over Cation-Exchanged Zeolites
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