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Keyword [density functional methods]
Result: 1 - 10 | Page: 1 of 1
1.
Calculation Of ～1H NMR Of Pentanediol Aromatic Diester And The Mechanism Research Of Propene Bromination
2.
Theoretical Studies Of Electron Affinities With Density Functional Methods
3.
Theoretical Research Of Kemp Elimination Reaction And Its Mechanism
4.
Carbonate And Derivatives In A Variety Of Small Molecules Under The Action Of The Reaction Mechanism
5.
Silylene Insertion Reaction In The Three-dimensional Electronic Effects
6.
Mechanism Study Of Cycloaddition Reactions Involved By Silylene And Disilene
7.
Interaction Of Metal Cations With Nucleosides: Mass Spectrometry And Quantum Chemical Calculation Study
8.
Double-hybrid Density Functional Methods For Computing Non-covalent Interaction Energies
9.
Computational studies of the structure and function of metalloenzymes and the performance of density functional methods
10.
Improved methods for the modeling of water and ice: I. Development and assessment of density functional methods. II. Development and application of the electrostatically embedded many-body expansion
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