Skip navigation
Browse
Communities
& Collections
Browse Items by:
Issue Date
Author
Title
Subject
Sign on to:
Create module
Browse module
Receive email
updates
Edit Profile
Institute of Chemical Research of Catalonia
Search
Search:
All of Browse
Bo Research Group
Echavarren Research Group
Kleij Research Group
Llobet Research Group
Lloret-Fillol Research Group
López Research Group
Maseras Research Group
Romero Research Group
Villa Research Group
for
Current filters:
Title
Author
Subject
Date Issued
Calculation type
Program name
Method
Basis
Formula
Equals
Contains
ID
Not Equals
Not Contains
Not ID
Title
Author
Subject
Date Issued
Calculation type
Program name
Method
Basis
Formula
Equals
Contains
ID
Not Equals
Not Contains
Not ID
Title
Author
Subject
Date Issued
Calculation type
Program name
Method
Basis
Formula
Equals
Contains
ID
Not Equals
Not Contains
Not ID
Title
Author
Subject
Date Issued
Calculation type
Program name
Method
Basis
Formula
Equals
Contains
ID
Not Equals
Not Contains
Not ID
Title
Author
Subject
Date Issued
Calculation type
Program name
Method
Basis
Formula
Equals
Contains
ID
Not Equals
Not Contains
Not ID
Title
Author
Subject
Date Issued
Calculation type
Program name
Method
Basis
Formula
Equals
Contains
ID
Not Equals
Not Contains
Not ID
Title
Author
Subject
Date Issued
Calculation type
Program name
Method
Basis
Formula
Equals
Contains
ID
Not Equals
Not Contains
Not ID
Title
Author
Subject
Date Issued
Calculation type
Program name
Method
Basis
Formula
Equals
Contains
ID
Not Equals
Not Contains
Not ID
Title
Author
Subject
Date Issued
Calculation type
Program name
Method
Basis
Formula
Equals
Contains
ID
Not Equals
Not Contains
Not ID
Start a new search
Add filters:
Use filters to refine the search results.
Title
Author
Subject
Date Issued
Calculation type
Program name
Method
Basis
Formula
Equals
Contains
ID
Not Equals
Not Contains
Not ID
previous
1
2
3
4
next
Item hits:
Preview
Issue Date
Title
Author(s)
Program
Calculation type
Method(s)
Basis Set
Energy
Solv.
Vibr.
Orb.
1-Dec-2017
/Mechanisms/OH_Insertion/Monometallic/OH_Insertion__Water_Concerted/TS_H TS_H
González Fabra, Joan
Gaussian; 09; EM64L-G09RevD.01
Geometry optimization TS
RB97D3
-
-1837.79940174; Eh
1-Dec-2017
/Mechanisms/OH_Insertion/Monometallic/OH_Insertion__Water_Concerted/Reactants/CO2
González Fabra, Joan
Gaussian; 09; EM64L-G09RevD.01
Geometry optimization Minimum
RB97D3
-
-188.536756146; Eh
1-Dec-2017
/Mechanisms/OH_Insertion/Monometallic/OH_Insertion__Water_Concerted/Linear_Carbonate_Water
González Fabra, Joan
Gaussian; 09; EM64L-G09RevD.01
Geometry optimization Minimum
RB97D3
-
-2102.79264282; Eh
1-Dec-2017
/Mechanisms/OH_Insertion/Monometallic/OH_Insertion__Water_Concerted/Prod_Isom/TS_H
González Fabra, Joan
Gaussian; 09; EM64L-G09RevD.01
Geometry optimization TS
RB97D3
-
-2026.36444231; Eh
1-Dec-2017
/Mechanisms/OH_Insertion/Monometallic/OH_Insertion__Water_Concerted/TS/Frozen Frozen
González Fabra, Joan
Gaussian; 09; EM64L-G09RevD.01
Geometry optimization Minimum
RB97D3
-
-2102.76968997; Eh
1-Dec-2017
/Mechanisms/OH_Insertion/Monometallic/OH_Insertion__Water_Concerted/Ensemble Ensemble
González Fabra, Joan
Gaussian; 09; EM64L-G09RevD.01
Geometry optimization Minimum
RB97D3
-
-2102.79569451; Eh
1-Dec-2017
/Mechanisms/OH_Insertion/Monometallic/OH_Insertion__Water_Concerted/TS/Frozen/Opt/TS_Ins_CC
González Fabra, Joan
Gaussian; 09; EM64L-G09RevD.01
Geometry optimization TS
RB97D3
-
-2102.76735146; Eh
1-Dec-2017
/Mechanisms/OH_Insertion/Monometallic/OH_Insertion__Water_Concerted/Prod_Isom/BnNH2/Restart
González Fabra, Joan
Gaussian; 09; EM64L-G09RevD.01
Geometry optimization Minimum
RB97D3
-
-326.791015444; Eh
1-Dec-2017
/Mechanisms/OH_Insertion/Monometallic/OH_Insertion__Water_Concerted/Carbonate Carbonate
González Fabra, Joan
Gaussian; 09; EM64L-G09RevD.01
Geometry optimization Minimum
RB97D3
-
-2102.79510609; Eh
1-Dec-2017
/Mechanisms/OH_Insertion/Monometallic/OH_Insertion__Water_Concerted/Prod_Isom/TS_Isom
González Fabra, Joan
Gaussian; 09; EM64L-G09RevD.01
Geometry optimization TS
RB97D3
-
-456.266703866; Eh
Results 11-20 of 40 (Search time: 0.002 seconds).
Discover
Subject
40
Alcohols
40
Epoxy-alcohols
40
Reaction mechanisms
