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Browsing by Subject 2D Covalent Organic Frameworks

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Showing results 1 to 20 of 4188  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required14-Feb-2025/ANA/Electric_Field/In-plane/Conformational_profile/Electric_Field_10/Rotation_105 singletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUPBE1PBE6-311G(D,P)-2933.31901630; Eh
Login required14-Feb-2025/ANA/Electric_Field/In-plane/Conformational_profile/Electric_Field_10/Rotation_105 tripletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBE6-311G(D,P)-2933.319005; Eh
Login required14-Feb-2025/ANA/Electric_Field/In-plane/Conformational_profile/Electric_Field_10/Rotation_120 singletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUPBE1PBE6-311G(D,P)-2933.31776265; Eh
Login required14-Feb-2025/ANA/Electric_Field/In-plane/Conformational_profile/Electric_Field_10/Rotation_120 tripletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBE6-311G(D,P)-2933.3176711; Eh
Login required14-Feb-2025/ANA/Electric_Field/In-plane/Conformational_profile/Electric_Field_10/Rotation_135 singletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUPBE1PBE6-311G(D,P)-2933.31346659; Eh
Login required14-Feb-2025/ANA/Electric_Field/In-plane/Conformational_profile/Electric_Field_10/Rotation_135 tripletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBE6-311G(D,P)-2933.313221; Eh
Login required14-Feb-2025/ANA/Electric_Field/In-plane/Conformational_profile/Electric_Field_10/Rotation_15 singletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUPBE1PBE6-311G(D,P)-2933.29690537; Eh
Login required14-Feb-2025/ANA/Electric_Field/In-plane/Conformational_profile/Electric_Field_10/Rotation_15 tripletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBE6-311G(D,P)-2933.2962732; Eh
Login required14-Feb-2025/ANA/Electric_Field/In-plane/Conformational_profile/Electric_Field_10/Rotation_150 singletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUPBE1PBE6-311G(D,P)-2933.30480578; Eh
Login required14-Feb-2025/ANA/Electric_Field/In-plane/Conformational_profile/Electric_Field_10/Rotation_150 tripletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBE6-311G(D,P)-2933.3043692; Eh
Login required14-Feb-2025/ANA/Electric_Field/In-plane/Conformational_profile/Electric_Field_10/Rotation_165 singletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUPBE1PBE6-311G(D,P)-2933.29098277; Eh
Login required14-Feb-2025/ANA/Electric_Field/In-plane/Conformational_profile/Electric_Field_10/Rotation_165 tripletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBE6-311G(D,P)-2933.2903173; Eh
Login required14-Feb-2025/ANA/Electric_Field/In-plane/Conformational_profile/Electric_Field_10/Rotation_30 singletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUPBE1PBE6-311G(D,P)-2933.30938342; Eh
Login required14-Feb-2025/ANA/Electric_Field/In-plane/Conformational_profile/Electric_Field_10/Rotation_30 tripletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBE6-311G(D,P)-2933.3089644; Eh
Login required14-Feb-2025/ANA/Electric_Field/In-plane/Conformational_profile/Electric_Field_10/Rotation_45 singletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUPBE1PBE6-311G(D,P)-2933.31714720; Eh
Login required14-Feb-2025/ANA/Electric_Field/In-plane/Conformational_profile/Electric_Field_10/Rotation_45 tripletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBE6-311G(D,P)-2933.3169101; Eh
Login required14-Feb-2025/ANA/Electric_Field/In-plane/Conformational_profile/Electric_Field_10/Rotation_60 singletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUPBE1PBE6-311G(D,P)-2933.32036062; Eh
Login required14-Feb-2025/ANA/Electric_Field/In-plane/Conformational_profile/Electric_Field_10/Rotation_60 tripletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBE6-311G(D,P)-2933.3202705; Eh
Login required14-Feb-2025/ANA/Electric_Field/In-plane/Conformational_profile/Electric_Field_10/Rotation_75 singletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUPBE1PBE6-311G(D,P)-2933.32038487; Eh
Login required14-Feb-2025/ANA/Electric_Field/In-plane/Conformational_profile/Electric_Field_10/Rotation_75 tripletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBE6-311G(D,P)-2933.3203731; Eh
Showing results 1 to 20 of 4188  next >