consortium des équipements de calcul intensif

Chemistry

1. Molecule 100%
2. Hyperpolarizability 88%
3. Second Order 79%
4. Structure 59%
5. Hyper Rayleigh Scattering 59%
6. Second-Order Nonlinear Optical Property 47%
7. Density Functional Theory 44%
8. Concentration 42%
9. Nonlinear Optical Property 37%
10. Graphene 35%
11. Electric Field 33%
12. Atom 32%
13. Quantum Mechanics 30%
14. Sum-Frequency Generation 30%
15. Enamine 30%
16. Spectra 30%
17. Particle Size 30%
18. Base 29%
19. Excited State 28%
20. Second-Order Nonlinear Optical Susceptibility 28%
21. Procedure 28%
22. Cation 26%
23. Aqueous Solution 26%
24. Chemical Reaction 25%
25. Electron Particle 25%
26. Alkali 23%
27. Energy 23%
28. Molecular Property 23%
29. UV/VIS Spectroscopy 23%
30. Adsorption 20%
31. Monomer 20%
32. Excited Electronic State 20%
33. Length 20%
34. Nitrogen 20%
35. Depolarization 20%
36. First Principle 19%
37. Dimerization 19%
38. Ligand 19%
39. Molecular Crystal 19%
40. Proline 19%
41. Aldol Reaction 17%
42. Absorption Spectrum 17%
43. Number 15%
44. Heptahelicene 15%
45. N-Oxide 15%
46. 4-Nitroaniline 15%
47. Catalysis 15%
48. Nitroaniline 15%
49. Vibrational Circular Dichroism 15%
50. Decoupling 15%
51. Molecular Charge 15%
52. Metal Organic Framework 15%
53. Chloromethane 15%
54. Stretching Vibration 15%
55. Liquid 15%
56. Polymerization 15%
57. Chemical Method 15%
58. Field Theory 15%
59. Metal Ion 15%
60. Radical Cation 15%
61. Ion 15%
62. Carboxylic Acid 15%
63. Polycrystalline Solid 15%
64. Diamond 15%
65. Raman Spectrum 15%
66. Ruthenium 15%
67. Doping Material 15%
68. Equilibrium 15%
69. Dye 15%
70. Acene 15%
71. Nitrobenzene 15%
72. Phosphoric Ester 15%
73. Nitrile Oxide 15%
74. Oxazine 15%
75. Dicarboxylic Acid 15%
76. Fluorine 15%
77. IR Spectrum 15%
78. Aminopyridine 15%
79. Oxide(2-) 15%
80. Oligomer 15%
81. Electronic Property 15%
82. Molecular Orientation 15%
83. Dimethyl Ether 15%
84. Polarization 14%
85. Donor 14%
86. Organocatalysis 14%
87. Substitution Reaction 14%
88. Polarizability 13%
89. Correlation 12%
90. Vibrational Frequency 12%
91. Ground State 12%
92. Solvation 12%
93. Reaction Mechanism 12%
94. Surface 12%
95. Vibrational Circular Dichroism Spectroscopy 12%
96. Quantum Chemistry 11%
97. Ab Initio Calculation 11%
98. Quinodimethane 11%
99. Electronic State 11%
100. Dipole Moment 10%
101. Fluorination 10%
102. Monolayer 10%
103. Electron Correlation 10%
104. Disk 9%
105. Sulfinate 9%
106. Density 8%
107. Solute 8%
108. Time-Dependent Density Functional Theory 7%
109. Conjugated System 7%
110. Group 7%
111. Dichloromethane 7%
112. Carbon Tetrachloride 7%
113. Trichloroacetonitrile 7%
114. Oxidation Reaction 7%
115. Alkaline Earth Metal 7%
116. Charge Transfer State 7%
117. Decane 7%
118. Hydrogen 7%
119. Compound Isomer 7%
120. Metal 7%
121. Ultraviolet Irradiation 7%
122. Pyrazole 7%
123. Substance Spectroscopy 7%
124. Correlation Function 7%
125. Amount 7%
126. Molecular Symmetry 7%
127. Rotation 7%
128. Phenylene Group 7%
129. Normal Modes 7%
130. Second-Harmonic Generation 6%
131. Solvent Effect 6%
132. Time 6%
133. Chromophore 6%
134. Quinonoid Zwitterion 5%
135. Crystal Orientation 5%
136. Dihedral Angle 5%
137. Molecular Dynamics 5%
138. Purity 5%
139. Quantum Chemical Calculations 5%
140. Boron Atom 5%
141. Polymer 5%
142. Hydrogen Atom 5%
143. Asymmetric Synthesis 5%
144. Binding Energy 5%
145. Stereoselectivity 5%
146. Wavelength 5%
147. Chirality 5%
148. Force Field 5%
149. Carbon 5%
150. Interference 5%
151. Screw 5%
152. Organic Molecule 5%
153. Peptide 5%
154. C60 Fullerene 5%
155. Carbon Atom 5%
156. Quinoline 5%
157. Application 5%
158. Methylquinoline 5%
159. Solvatochromism 5%
160. Acridine 5%
161. Charge Distribution 5%
162. Circular Dichroism 5%
163. Structure Elucidation 5%
164. Configuration Interaction 5%
165. Vibration 5%
166. Response Function 5%
167. Nanoflake 5%