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Welcome to the ioChem-BD Computational Chemistry repository, hosted at:
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Subject
- 12577
Density functional calculations
- 7021
Radicals
- 6799
Ab initio calculations
- 6766
Aromaticity
- 6643
Magnetic properties
- 6348
Electric Field
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Magnetoelectricity
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2D Covalent Organic Frameworks
- 3761
BF3 Solvation
- 3145
Homogeneous catalysis
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UPBEPBE
- 20
VWN
- 18
UM11
- 17
RB97D3
- 17
RHSEH1PBE
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ROPBE
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VDW-DF2-B86R
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PBE0 0.5 ...
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RLC-wHPBE
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RMN12SX
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Recent Submissions
Date:
2026-08-04T14:25:33.376648Z
Title:
/search_for_S1-T2_X1_and_NTOs TDDFT_on_S1-T2_X1_
Author:
Serapian, Stefano A.
Keywords:
Date:
2026-08-04T14:25:33.163747Z
Title:
/search_for_S1-T2_X1_and_NTOs/search_with_easyMECP Job35_A_
Author:
Serapian, Stefano A.
Keywords:
Date:
2026-08-04T14:25:33.104381Z
Title:
/search_for_S1-T2_X1_and_NTOs/search_with_easyMECP Job17_B_
Author:
Serapian, Stefano A.
Keywords:
Date:
2026-08-04T14:25:33.038889Z
Title:
/search_for_S1-T2_X1_and_NTOs/search_with_easyMECP Job57_B_
Author:
Serapian, Stefano A.
Keywords:
Date:
2026-08-04T14:25:33.315532Z
Title:
/search_for_S1-T2_X1_and_NTOs S0-S1_X1_NTO_
Author:
Serapian, Stefano A.
Keywords:
Welcome to the ioChem-BD Computational Chemistry repository, hosted at:
If you want to request for a user account, please apply here
You can read more about this platform on its wiki and on this paper
Discover
Subject
- 12577 Density functional calculations
- 7021 Radicals
- 6799 Ab initio calculations
- 6766 Aromaticity
- 6643 Magnetic properties
- 6348 Electric Field
- 6348 Magnetoelectricity
- 4188 2D Covalent Organic Frameworks
- 3761 BF3 Solvation
- 3145 Homogeneous catalysis
- next >
Method
- 20 UPBEPBE
- 20 VWN
- 18 UM11
- 17 RB97D3
- 17 RHSEH1PBE
- 16 ROPBE
- 16 VDW-DF2-B86R
- 15 PBE0 0.5 ...
- 15 RLC-wHPBE
- 15 RMN12SX
- < previous next >
Recent Submissions
| Date: | 2026-08-04T14:25:33.376648Z |
| Title: | /search_for_S1-T2_X1_and_NTOs TDDFT_on_S1-T2_X1_ |
| Author: | Serapian, Stefano A. |
| Keywords: |
| Date: | 2026-08-04T14:25:33.163747Z |
| Title: | /search_for_S1-T2_X1_and_NTOs/search_with_easyMECP Job35_A_ |
| Author: | Serapian, Stefano A. |
| Keywords: |
| Date: | 2026-08-04T14:25:33.104381Z |
| Title: | /search_for_S1-T2_X1_and_NTOs/search_with_easyMECP Job17_B_ |
| Author: | Serapian, Stefano A. |
| Keywords: |
| Date: | 2026-08-04T14:25:33.038889Z |
| Title: | /search_for_S1-T2_X1_and_NTOs/search_with_easyMECP Job57_B_ |
| Author: | Serapian, Stefano A. |
| Keywords: |
| Date: | 2026-08-04T14:25:33.315532Z |
| Title: | /search_for_S1-T2_X1_and_NTOs S0-S1_X1_NTO_ |
| Author: | Serapian, Stefano A. |
| Keywords: |