Pub. Date : 2019 Jul 11
PMID : 31246023
2 Functional Relationships(s)Download |
Sentence | Compound Name | Protein Name | Organism |
| 1 | QM/MM Calculations for the Cl- + CH3Cl SN2 Reaction in Water Using CM5 Charges and Density Functional Theory. | Water | solute carrier family 38 member 5 | Homo sapiens |
| 2 | The prototypical SN2 reaction of chloride ion with methyl chloride has been reinvestigated in aqueous solution using QM/MM methodology featuring MO6-2X/6-31+G(d) calculations with the TIP4P water model, and partial charges were computed with the CM5 method. | Water | solute carrier family 38 member 5 | Homo sapiens |