Hello every one
I want to hydroxylate a surface in Material Studio .What are the steps ? How can I find the partial charges?
I appreciate all response.
Thanks
You can see the following links:
1. https://pdf.sciencedirectassets.com/277910/1-s2.0-S1876610217X00398/1-s2.0-S1876610217363828/main.pdf?X-Amz-Security-Token=IQoJb3JpZ2luX2VjEDsaCXVzLWVhc3QtMSJIMEYCIQDqfOuhAvrxxPXOl60GxtfV8auggM32RNCIzPw2dRXvkQIhAOjlGViJZd4xMKkdm4ej6acS7RhUWzchApGkE2M5UF%2BRKvoDCDMQBBoMMDU5MDAzNTQ2ODY1Igxsk8ZQDeGG9VGc2Vgq1wMUuZDqZGcnyMUu40tPRjwpuRuRe4UUbL6K061LRcwsawT9MopbioiMmJsoIoMKFGljF0GBcRFnVcMzMCn4o0uYIucKcIHYrZOfqvP1A4z7vxrUqSGG48H7i92BWSPP2sbOPJ5v5UbI9ju5VNOzfgeVmeb66dVlgevN5QVDSfeGmR2CK5KnzMcf3IdAholqobpTj1%2FLrNDb39HIpvHL2jjlWeD2qxDRAQSdEJXIhU6g6kN7ziPO4%2ByYC%2FXrETjy6NTad8zZORTuvf65dTy9yWwaywptJJvpEMW1wHQxRJhcnVtYJFpB%2B6PBZZE0E9vVEZKI6JagHGLI8VieY1EsFocsUQ61UT31zEVJP%2FLy4kGYJuGbHEm8Ti45oDmzkq8I0SEgiJOAadLfIUM157n%2B%2Bx9sw3HAVlSS3vzJefRvhsp5qOXBevBeMXGdq8GrTqKvttDD7WumUf%2FDOkuzfehkdl7oS32Qyl3hV7c74%2FSrBjuZuu8xSup26NcjUGEaP6iFYi64abl10wywIxfJ9qQjvM8w7xzg4McM4I3HbFK52S2OKR6OUiVVQm7TdetLcC1DiouOygyXNMhR1qIZaJKNAVw2LkNOmAp8wUrH7MbzieV5mSpnkJIbzD4wzNGNjgY6pAEpbJ%2Bfn70AGdB3nqrU96lv3%2BWFr8%2FXVkzcFuMCzb9wtzcpIYn6bVTxvpMGVbs3Yx%2Bsv5Xtd7Lxjvgc2n3H4TpXzJqiITQDVhGSANdUlMiXem2pUtjPPbBGYtoBe%2FvlghquVnSIAo9ZPlbaDH1m2%2BrUncEQnFLzeAaZVtiV729a1QVhAb%2FhMnnkX0WI4DGVLF4MOVsqCtJmumYjQOifw2Alvzf%2F5g%3D%3D&X-Amz-Algorithm=AWS4-HMAC-SHA256&X-Amz-Date=20211222T182246Z&X-Amz-SignedHeaders=host&X-Amz-Expires=300&X-Amz-Credential=ASIAQ3PHCVTY3FVDI47E%2F20211222%2Fus-east-1%2Fs3%2Faws4_request&X-Amz-Signature=711173faa037e31b4848df226e339509f0a1c401ab37493ef0efd2442818728e&hash=40f893f27638fa605e2d7f3f6087523a731fd7a28f314919cc9f3867c78a03ef&host=68042c943591013ac2b2430a89b270f6af2c76d8dfd086a07176afe7c76c2c61&pii=S1876610217363828&tid=spdf-aa00fe25-a48d-4ed6-835e-c8b1c2f37466&sid=ae12dfa23ad1b845d16bb158dc581d7c772agxrqb&type=client
2. https://www.nature.com/articles/s41598-020-80566-w
3. https://globex.coe.pku.edu.cn/file/upload/201807/16/1259524417.pdf
Thank you .But there is nothing about my question in the third mentioned links.
Hi
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