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Keyword [Time-dependent density functional]
Result: 81 - 93 | Page: 5 of 5
81. Theory and applications of time dependent density functional theory
82. Time dependent density functional theory of dynamical response in 3d and 4d metals
83. Time-dependent density-functional study of absorption spectra of open-shell molecules and alkali metal clusters
84. Exploring Non-Equilibrium Dynamics in Time Dependent Density Functional Theory
85. Design Synthesis And Performance Study Of D-?-A Organic Fluorescence Sensors Based On Thiophene Anthracene And Carbazole
86. Important Roles Of Excited-State Hydrogen Bonding In Typical Photocatalytic CO2 Reduction Systems
87. Rational Manipulation And Application Of Donor-Acceptor Organic Optoelectronic Materials
88. Investigating The Influence Of Substituent Groups In TTM Based Radicals To The Fluorescent Illuminating Process: A Theoretical Study
89. Theoretical Research On The Braking Mechanism And Performance Of Iptycene Molecular Brake
90. Research On The Important Role Of Excited Hydrogen Bonds In Artificial Photosynthesis System
91. Theoretical Study On The Mechanism Of Excited-state Proton Transfer In Several Organic Molecular Systems
92. Kinetics And Microscopic Mechanism Of Hydrogen Transfer Reactions In The Lowest Triplet Of Nitronaphthalene Derivatives
93. Theoretical Design Of Conjugated Polyene-Based Light-Driven Molecular Motors Based On Push-Pull Electronic Structure
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