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Keyword [Density-Functional Theory]
Result: 101 - 120 | Page: 6 of 10
101. Synthesis, Properties Of Short-wavelength Cyanine Dyes As Well As Their Application In Biomedical Areas
102. Naphthacenequinone Photochromic Mechanism And Bithiazole Sensitization Theory Of Solvent
103. First Principles Studies On Nano-and Surface Systems
104. Electrochemical In-situ Surface-Enhanced Raman Spectroscopic Study On The Adsorption And Oxidation Of Carbon Monoxide At Noble Metal Electrode Surfaces
105. Transport Properties Of Thermoelectric Oxide SrTiO3: Theoretical Study
106. Theoretical Study On Several Transition-metal Complexes Catalyzed Reactions Of Carbon Dioxide With Epoxides
107. Dissociation Of Methylamine And Methane On Different Catalyst: A DFT Study
108. First-principles Study Of The Structural, Elastic And Electronic Properties Of Several Transition Metal Borides, Nitrides, And BC5
109. Theoretical Studies And Molecular Simulations On The Structure Of Azobenzene Sulfonate Derivatives Intercalated Layered Double Hydroxides
110. Quantum Mechanical Investigation Of Electronic Properties In Lindqvist-type Polyoxometalate Derivatives: Inorganic-Organic Hybrid Functional Materials
111. Theoretical Study Of Second-Order Optical Nonlinearity Of Keggin-type Polyoxotungstate And Lindqvist-type Polyoxomolybdate Derivatives
112. Theoretical Study On Redox And Nonlinear Optical Properties Of Lindqvist-type And Bowl-shaped Vanadate Derivatives
113. The Theoretical Study Of The Electronic Structures And Nonlinear Optical Properties Of Transition Metal Substituted Keggin-type Polyoxometalates And Its Analogous Species
114. Experimental And Mechanism Study Of Elemental Mercury Removal From Coal Combustion Flue Gases By Modified Chitosan Sorbents
115. Theoretical Studies On The Structural Relation Of Chiroptical Properties Of Transition Metal Chelates
116. A Theoretical Study On Hydrogen Storage Of Boron Nitride Clusters
117. Theoretical Investigations On Complex Dehydrogenation Reaction Networks At Platinum Metal Surfaces
118. Theoretical And Experimental Studies On The Catalytic Conversion Of CO2
119. The Mechanism Of Omp Catalyzed By Orotidine 5'-monophosphate Decarboxylase
120. Theoretical Study On The Mechanism Of Catalytic Hydrogenation Of Ketones And Imines
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