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Keyword [quantum mechanics]
Result: 41 - 60 | Page: 3 of 4
41. Spectral Densities Of Molecular Crystal Of Tetracene Calculated By Trajectory-based Approaches And Harmonic Oscillator Model
42. Simulation Study On Interaction Between Coal And Montmorillonite In Coal Slurry
43. (catalytic) Ozonatiom Of Nitrogen-containing Heterocyclic Organic Compounds:Degradation Reaction And Mechanism
44. Prediction And Understanding Of AIE Effect By Quantum Mechanics-aided Machine-learning Algorithm
45. Design And Simulation Of Perovskite Solar Cell Charge Transport Materials
46. Deciphering The Chemoselectivity Of Nickel-dependent Quercetin 2,4-Dioxygenase
47. Theoretical Study On The Interaction Between Na~+/K~+ And The Base And Water
48. The Study Of Nano-mechanics For Medical Bio-polyesters
49. Theoretical Insights Into Catalytic Mechanisms Of Several Heme And Non-Heme Enzymes
50. Analysis Of Pollution Load Of Heavily Polluted River And Theoretical Study On The Mechanism Of Cysteine Dioxygenase Catalytic Reaction
51. Molecular Simulation And Quantum Mechanics Of Lithium Ion Diffusion In Electrode Materials
52. Prediction Of Interaction Energy Between Small Organic Molecules Based On Deep Tensor Neural Network Theory
53. Theoretical Study On The Luminescence Properties Of Thermally Activated Delayed Fluorescence Molecules
54. Computational Studies Of Solvent Effect And Structure Of Amines On CO2 Absorption Process In Amine Solutions
55. A needed response: Fragment molecular orbital analytic gradients
56. Elucidating enzymatic mechanism using quantum mechanics and molecular dynamics
57. Quantum mechanics of effective potential at a metal surface
58. Converging trajectories, diverging traditions: Chemical bond, valence, quantum mechanics and chemistry, 1927-1937
59. Quantum Mechanics and Molecular Dynamic Investigations of Organic Reactions
60. Roles Of Conical Intersection Of Potential Energy Surfaces In Several Important Photochemical Reactions
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