分子科學碩博班

Keyphrases

1. Curve Crossing 95%
2. Semiclassical Theory 93%
3. Nonadiabatic Transition 82%
4. Two-state 67%
5. Absorption Spectra 64%
6. Nonadiabatic Tunneling 63%
7. Excited States 58%
8. Scattering Matrix 56%
9. Franck-Condon Simulation 56%
10. Born-Oppenheimer 48%
11. Landau-Zener 48%
12. Density Functional Tight Binding 47%
13. Fluorescence Spectra 45%
14. Self-consistent Charge Density Functional Tight Binding 42%
15. Multi-channel 37%
16. Polycaprolactone 37%
17. Trajectory Surface Hopping 37%
18. Multireference Perturbation Theory 35%
19. Pyrazine 35%
20. Potential Energy Surface 34%
21. Collision Energy 33%
22. Semiclassical 31%
23. Mixing Method 30%
24. Molecular Properties 30%
25. Doxorubicin 29%
26. Diabatic 29%
27. Zhu-Nakamura Theory 28%
28. Low-lying 28%
29. Intruder States 28%
30. Raman Spectra 27%
31. Crossing Point 25%
32. Internal Conversion 25%
33. Electronic Structure 24%
34. Stokes Constants 23%
35. CASPT2 23%
36. Electronic States 23%
37. Conical Intersection 23%
38. Doxorubicin-loaded 21%
39. Excitation Energy 21%
40. Analytical Solution 21%
41. MCF-7 20%
42. Trajectory Method 20%
43. Quantum Chemical Calculations 20%
44. State Curves 19%
45. Complete Active Space Self-consistent Field (CASSCF) 19%
46. Two-state System 18%
47. Benzenoid System 18%
48. Harmonic Vibrational Frequencies 18%
49. Gold Nanoparticles 18%
50. Nonadiabatic Dynamics 18%
51. Anatase TiO2 18%
52. Parametrization 18%
53. Multidrug Resistance 18%
54. Pyrimidine 18%
55. Breast Cancer Cells 18%
56. Carbon Nanotubes 18%
57. Cellulose 18%
58. Ab Initio Calculations 18%
59. Zhang-Zhang Polynomial 18%
60. Wave Function 18%
61. Methoxy Poly(ethylene glycol) 18%
62. Optical Spectra 18%
63. Ab Initio Study 18%
64. Transition Probability 17%
65. Adiabatic Representation 17%
66. Density Functional Theory 17%
67. Diabatic Representation 17%
68. Coupling Strength 17%
69. Electronic Properties 17%
70. Analytical Formula 17%
71. Avoided Crossing 17%
72. Charge Transfer Process 16%
73. Decoherence 16%
74. Coupled Equations 15%
75. Anharmonic Effect 15%
76. Nonadiabatic Process 15%
77. Semiclassical Methods 15%
78. First-order 15%
79. Low-lying Excited States 15%
80. Nanoparticles 15%
81. Reduced Scattering 14%
82. Adiabatic Potential 14%
83. Equilibrium Geometry 14%
84. Reactive Scattering 14%
85. Theoretical Treatment 14%
86. Benzenoid 14%
87. Geometric Properties 14%
88. Electron-deficient 14%
89. Vacuum Ultraviolet 14%
90. Vibronic Spectra 14%
91. Chemical System 14%
92. Kinetic Stability 14%
93. Infrared Absorption 14%
94. Coupled Cluster 14%
95. Vibrational Properties 14%
96. Weakly Bound 14%
97. Popular 14%
98. Vibrational Relaxation 14%
99. Time-dependent Density Functional Theory 13%
100. Quantum Mechanical 13%

Chemistry

1. Semiclassical Theory 100%
2. Ground State 64%
3. Excited State 63%
4. Absorption Spectra 57%
5. Perturbation Theory 51%
6. k·p perturbation theory 51%
7. Charge Density 51%
8. Potential Energy Surface 44%
9. Adiabatic Potential 42%
10. electronics 42%
11. Transition Probability 40%
12. Electronic State 39%
13. Tight-Binding Method 39%
14. dimer 36%
15. Fluorescence Spectrum 35%
16. Transfer Process 32%
17. Analytic Solution 32%
18. Raman Spectra 28%
19. Pyrazine 25%
20. Internal Conversion 25%
21. Wave Function 23%
22. Vibrational Frequency 22%
23. Molecular Property 21%
24. Quantum Chemical Calculations 20%
25. Photochemical Reaction 20%
26. CASSCF Calculation 19%
27. Molecular Dynamics 18%
28. Transition Metal 18%
29. Time-Dependent Density Functional Theory 18%
30. Density Matrix 17%
31. Density Functional Theory 16%
32. Vibrational Relaxation 16%
33. Reactive Scattering 14%
34. Porphyrin 13%
35. Relaxation 12%
36. Nanotube 12%
37. Vibrational Spectra 12%
38. Excited Singlet State 12%
39. Benzene 11%
40. Noble Gas Atom 11%
41. Single Walled Nanotube 11%
42. vibrational spectroscopy 11%
43. Raman Spectroscopy 11%
44. Raman Spectrometry 11%
45. Electronic Transition 10%
46. Wavenumber 10%
47. DFT-B3LYP Calculation 10%
48. Dipole Moment 9%
49. Spectra 9%
50. Uncertainty Principle 9%
51. Laser Pulse 9%
52. Excited Electronic State 9%
53. Angular Momentum 9%
54. Methane 9%
55. Dye-Sensitized Solar Cell 9%
56. Photolysis 9%
57. Supercritical Fluid Chromatography 9%
58. Repulsive Potential 9%
59. Bound State 9%
60. Electrochromism 9%
61. Radiationless Transition 9%
62. Manganese 9%
63. Energetics 9%
64. Halide 9%
65. Reaction Dynamics 9%
66. Dissociation Energy 9%
67. Resonance State 9%
68. Green Fluorescent Protein 9%
69. Carbon Nanostructure 9%
70. Inelastic Scattering 9%
71. Difluorobenzene 9%
72. Hypochlorous Acid 9%
73. Exact Solutions 9%
74. Ab Initio Calculation 9%
75. Nanodiamond 9%
76. Methanol 9%
77. Cluster Model 9%
78. Matrix-Assisted Laser Desorption-Ionization 9%
79. Tungsten Oxide 9%
80. Wave Packet 9%
81. Coupled Cluster 9%
82. Oscillator Strength 9%
83. Fluorescence Excitation Spectrum 9%
84. Brillouin Zone 9%
85. stability 9%
86. formation 9%
87. Elastic Scattering 9%
88. Carbon Nanotube 9%
89. Quantum Dot 9%
90. Chromophore 9%
91. Density Functional Theory 9%
92. Fullerene 9%
93. Multireference Configuration Interaction 9%
94. Scandium 9%
95. Diffusion Monte Carlo 9%
96. Free Energy 9%
97. Permittivity 9%
98. Magnesium 9%
99. Thermoelectric Effect 9%
100. Phthalocyanine 9%