CH4 + CO2 →　HCOOCH3


Non-inverted methyl transfer    Inverted methyll transfer   
EQ3   - TS61  - CH4+CO2         EQ3   - TS62  - CH4+CO2     
70.5  - 407.2 - -3 kJ/mol       70.5  - 456.9 -  -3 kJ/mol  











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HCOOCH3 →　CH3OCHO


Non-inverted methyl transfer    Inverted methyl transfer   
EQ2   - TS26  - EQ2             EQ2   - TS27  - EQ2        
49.3  - 271.2 - 49.3 kJ/mol     49.3  - 439.7 - 49.3 kJ/mol











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Proton Relay


Proton Relay via Carbons        Proton Relay via Oxygens    
EQ8   - TS145 - EQ11            EQ8   - TS146 - EQ11        
145.2 - 467.8 - 173.8 kJ/mol    145.8 - 468.0 - 173.8 kJ/mol











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Double Proton Transfer


Short Proton Exchange           Distant Proton Exchange      
EQ11  - TS165  - EQ11           EQ11  - TS166  - EQ11        
173.8 - 373.8  - 173.8 kJ/mol   173.8 - 434.1  - 173.8 kJ/mol











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Proton Push Transfer


EQ8   - TS152  - HCHO + HCHO  
145.2 - 600.0  - 264 kJ/mol   











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Long Range Proton Relay (1)


H2C=C=CH2 Proton Relay         CH3-CN Proton Relay        
EQ0 - TS1   - EQ1              EQ8 - TS    - EQ11         
0.0 - 369.2 - 11.6 kJ/mol      0.0 - 411.9 - 115.08 kJ/mol












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Long Range Proton Relay (2)


H-C≡C-C≡C-H Proton Relay  
EQ0 - TS0   - EQ1           
0.0 - 444.4 -161.4 kJ/mol   











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