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File Type: Chemical

601 to 610 of 635 Results

chainlength_6ptma_66_6.xyz Mar 11, 2024 - Replication Data and Code for: 'Machine learning isotropic g values of radical polymers' chemical/x-xyz - 7.2 KB - SHA-256: 96685a287911b54d466cffb6383a73e80963ba2606e73f6e91638a7daa08f39e
chainlength_6ptma_66_7.xyz Mar 11, 2024 - Replication Data and Code for: 'Machine learning isotropic g values of radical polymers' chemical/x-xyz - 7.2 KB - SHA-256: 6b1f3849387545233eb7d019be5955b10b5374fdf1a832bdb7192a1f5205871d
chainlength_6ptma_66_8.xyz Mar 11, 2024 - Replication Data and Code for: 'Machine learning isotropic g values of radical polymers' chemical/x-xyz - 7.2 KB - SHA-256: 4901394d4d6e13b16e026004ef8d9f0f932f34d891f19336b8a7fef3d523538e
chainlength_6ptma_66_9.xyz Mar 11, 2024 - Replication Data and Code for: 'Machine learning isotropic g values of radical polymers' chemical/x-xyz - 7.1 KB - SHA-256: ec09b327d83e36e01f2b1b29bdb12ca73241c4c9441cdbb2b7d93c81ec7153a2
chainlength_6ptma_6.xyz Mar 11, 2024 - Replication Data and Code for: 'Machine learning isotropic g values of radical polymers' chemical/x-xyz - 7.2 KB - SHA-256: 02c27fd592d62a5c100ae73e3922f425df23045ae59e68b9cbdd0172e06f7aeb
chainlength_6ptma_7.xyz Mar 11, 2024 - Replication Data and Code for: 'Machine learning isotropic g values of radical polymers' chemical/x-xyz - 7.3 KB - SHA-256: c0b065d513ee0c84277b9c9d29fe8363c270d1801b53f06920a45ad24bcee07e
chainlength_6ptma_8.xyz Mar 11, 2024 - Replication Data and Code for: 'Machine learning isotropic g values of radical polymers' chemical/x-xyz - 7.2 KB - SHA-256: 0ebd68dba9723b2f9c1c4b1a1a2b469673d4a26d32da7bd20677e9799aba2bd2
chainlength_6ptma_9.xyz Mar 11, 2024 - Replication Data and Code for: 'Machine learning isotropic g values of radical polymers' chemical/x-xyz - 6.9 KB - SHA-256: c7a356d296fc528bf0cb492b216448da09d86308a09a78d76368160152c29055
Ba2+-Attachment-path-alpha-1-255-Movie.xyz Jul 3, 2023 - Simulation data for: Simulation of crystal growth by an innovative hybrid DFT-continuum solvation approach: Kink-site formation on barite (001) chemical/x-xyz - 254.3 KB - SHA-256: a6c317e7a1857a6e8fe93cc635595c1e7e3415a7c80da06f495c5bfb1c323a59 Simulation of the Ba2+ attachment to the stepped barite (001) surface with implicit water, alpha = 1.255: complete Ba2+ attachment process as a sequence of the simulated intermediate structures.
Ba2+-attachment-path-alpha-1-27-alternate-Movie.xyz Jul 3, 2023 - Simulation data for: Simulation of crystal growth by an innovative hybrid DFT-continuum solvation approach: Kink-site formation on barite (001) chemical/x-xyz - 35.6 KB - SHA-256: 3cf77346704bc356daf9eaaeaa8b360744e8bccddfe9bdc721ef7c4d537ffcab Simulation of the Ba2+ attachment to the stepped barite (001) surface with implicit water, alpha = 1.27: alternative path of Ba2+ attachment from the completely dissolved Ba2+ ion to the inner-sphere complex as a sequence of the simulated intermediate structures.

chainlength_6ptma_66_6.xyz

Mar 11, 2024 - Replication Data and Code for: 'Machine learning isotropic g values of radical polymers'

chemical/x-xyz - 7.2 KB - SHA-256: 96685a287911b54d466cffb6383a73e80963ba2606e73f6e91638a7daa08f39e

chainlength_6ptma_66_7.xyz

Mar 11, 2024 - Replication Data and Code for: 'Machine learning isotropic g values of radical polymers'

chemical/x-xyz - 7.2 KB - SHA-256: 6b1f3849387545233eb7d019be5955b10b5374fdf1a832bdb7192a1f5205871d

chainlength_6ptma_66_8.xyz

Mar 11, 2024 - Replication Data and Code for: 'Machine learning isotropic g values of radical polymers'

chemical/x-xyz - 7.2 KB - SHA-256: 4901394d4d6e13b16e026004ef8d9f0f932f34d891f19336b8a7fef3d523538e

chainlength_6ptma_66_9.xyz

Mar 11, 2024 - Replication Data and Code for: 'Machine learning isotropic g values of radical polymers'

chemical/x-xyz - 7.1 KB - SHA-256: ec09b327d83e36e01f2b1b29bdb12ca73241c4c9441cdbb2b7d93c81ec7153a2

chainlength_6ptma_6.xyz

Mar 11, 2024 - Replication Data and Code for: 'Machine learning isotropic g values of radical polymers'

chemical/x-xyz - 7.2 KB - SHA-256: 02c27fd592d62a5c100ae73e3922f425df23045ae59e68b9cbdd0172e06f7aeb

chainlength_6ptma_7.xyz

Mar 11, 2024 - Replication Data and Code for: 'Machine learning isotropic g values of radical polymers'

chemical/x-xyz - 7.3 KB - SHA-256: c0b065d513ee0c84277b9c9d29fe8363c270d1801b53f06920a45ad24bcee07e

chainlength_6ptma_8.xyz

Mar 11, 2024 - Replication Data and Code for: 'Machine learning isotropic g values of radical polymers'

chemical/x-xyz - 7.2 KB - SHA-256: 0ebd68dba9723b2f9c1c4b1a1a2b469673d4a26d32da7bd20677e9799aba2bd2

chainlength_6ptma_9.xyz

Mar 11, 2024 - Replication Data and Code for: 'Machine learning isotropic g values of radical polymers'

chemical/x-xyz - 6.9 KB - SHA-256: c7a356d296fc528bf0cb492b216448da09d86308a09a78d76368160152c29055

Ba2+-Attachment-path-alpha-1-255-Movie.xyz

Jul 3, 2023 - Simulation data for: Simulation of crystal growth by an innovative hybrid DFT-continuum solvation approach: Kink-site formation on barite (001)

chemical/x-xyz - 254.3 KB - SHA-256: a6c317e7a1857a6e8fe93cc635595c1e7e3415a7c80da06f495c5bfb1c323a59

Simulation of the Ba2+ attachment to the stepped barite (001) surface with implicit water, alpha = 1.255: complete Ba2+ attachment process as a sequence of the simulated intermediate structures.

Ba2+-attachment-path-alpha-1-27-alternate-Movie.xyz

Jul 3, 2023 - Simulation data for: Simulation of crystal growth by an innovative hybrid DFT-continuum solvation approach: Kink-site formation on barite (001)

chemical/x-xyz - 35.6 KB - SHA-256: 3cf77346704bc356daf9eaaeaa8b360744e8bccddfe9bdc721ef7c4d537ffcab

Simulation of the Ba2+ attachment to the stepped barite (001) surface with implicit water, alpha = 1.27: alternative path of Ba2+ attachment from the completely dissolved Ba2+ ion to the inner-sphere complex as a sequence of the simulated intermediate structures.

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