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Keyword [Density function theory]
Result: 41 - 60 | Page: 3 of 8
41. The Structure Of Biologically Active Molecules And The Interaction Theory Study
42. Theoretical Study Of Water And Acetic Acid On The Nature Of Uric Acid And No And Onh Noh Coupling Role
43. Acid-base Bifunctional Catalytic Hydrogen - Migration Of The Theoretical Study Of The Reaction
44. Diacetyl Monoxime Hydrogenation Reaction Catalyst And Its Catalytic Activity Theory Research
45. Of Ga, Gh And Gd Pairs Of Quaternary Ammonium Compounds Of The Synthesis And Application Of Research
46. Dna Bases And The Peptide Chain Hydrogen Bonds Between The Theoretical Research
47. Of Hedp And Atmp And Its Substitutes Corrosion And Scale Inhibition Performance Of The Qc / Md Study
48. Ionization Potential And Electron Affinity Between The Dna Bases And The Peptide Chain And The Potential And Hydrogen Bonding Interactions Of Theoretical Research
49. Containing Platinum, Tungsten Metal Organic Compounds Involved In The Study Of Reaction Mechanism
50. Theoretical Studies On The Hydrolysis Mechanism Of Sulfonylure Herbicides And Its Isocyanate Synthesis
51. Theoretical Investigation On Platinum(Ⅱ) Complexes Containing Triarylboron
52. The Electronic Structure Of Silicene Nanoribbons:Two Edges Chemistry Modified And First-principles Study
53. Density Functional Theory Study On The Activity And Reaction Mechanism Of The Late Transition Metal Catalyst
54. Study On The Preparation And Properties Of Energetic Ion Compounds Of 1,1’-BTO
55. Electronic Structure And Elastic Properties Of The Layered Ternary Carbide Ti3AlC2
56. Calculation And Measurement Of The Vibration Of Nitratelon
57. Carbon Impurities On The Corrosion Behavior Of Uranium Hydride
58. Theoretical And Experimental Study On Mechanism Of Cellulose Pyrolysis
59. Improving Accuracy Of Quantum Chemical Calculation: Extreme Learning Machine Neural Network
60. Investigations Of The Transport Properties And Properties Of One-dimensional SiC Nanoscale Materials
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