Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required13-Jan-2021/Mo2-Substrate-Assited-Mech/Mo2-Isomer-4wat H2O+MoIsomer-4W-ProductsSanchez-Gonzalez, AngelADF; 2019Geometry optimizationBP86TZP-10.89016298; Eh
Login required13-Jan-2021/Mo2-Substrate-Assited-Mech/Mo2-4wat H2O+Mo-4W-ReactantsSanchez-Gonzalez, AngelADF; 2018Geometry optimizationBP86TZP-10.86046639; Eh
Login required13-Jan-2021/W2-Substrate-Assisted-Mech/W2-Isomer-4wat H2O-W2Isomer-4Wat-TSSanchez-Gonzalez, AngelADF; 2019Transition stateBP86TZP-11.01442209; Eh
Login required13-Jan-2021/W5-Substrate-Assisted-Mech W5O23-2NPP-H2O-IntSanchez-Gonzalez, AngelADF; 2018Transition stateBP86TZP-16.34180038; Eh
Login required13-Jan-2021/POMs Mo7O24Sanchez-Gonzalez, AngelADF; 2019Geometry optimizationBP86TZP-9.92905205; Eh
Login required13-Jan-2021/POMs Mo5O15Sanchez-Gonzalez, AngelADF; 2019Geometry optimizationBP86TZP-5.82355591; Eh
Results 61-66 of 66 (Search time: 0.002 seconds).

Discover

Program name
Method