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1 to 10 of 3,157 Results

cube-files_B3LYP.zip Apr 3, 2025 - Data used in: Tomographic identification of all molecular orbitals in a wide binding-energy range Unknown - 32.1 MB - SHA-256: d5069acb0b362bca18a0ba338782dbf922d1271f377ea0f7ade4ce116b2577fb ZIP archive contains cube files of 15 pi and 27 sigma orbitals of the isolated bisanthene molecule calculated using B3LYP functional by NWChem quantum chemistry package. They are used to produce Tables I and II.
cube-files_HSE.zip Apr 3, 2025 - Data used in: Tomographic identification of all molecular orbitals in a wide binding-energy range Unknown - 32.1 MB - SHA-256: 7209b3a168b21858ee7192b12a3e8c4023372c51b2b665279e5756a8574edab7 ZIP archive contains cube files of 15 pi and 27 sigma orbitals of the isolated bisanthene molecule calculated using HSE functional by NWChem quantum chemistry package. They are used to produce Figures 4 and 10 and Tables I and II.
cube-files_PBE0.zip Apr 3, 2025 - Data used in: Tomographic identification of all molecular orbitals in a wide binding-energy range Unknown - 32.1 MB - SHA-256: 46d8839deb404c276a657a4bee7e72128655574a96380a473c518e2a1cdd157b ZIP archive contains cube files of 15 pi and 27 sigma orbitals of the isolated bisanthene molecule calculated using PBE0 functional by NWChem quantum chemistry package. They are used to produce Tables I and II.
cube-files_PBE.zip Apr 3, 2025 - Data used in: Tomographic identification of all molecular orbitals in a wide binding-energy range Unknown - 32.2 MB - SHA-256: b4ae5ee17b017c0e52fe474a0a3823438e124b82cb95e4920c9576c054cd1c4d ZIP archive contains cube files of 15 pi and 27 sigma orbitals of the isolated bisanthene molecule calculated using PBE functional by NWChem quantum chemistry package. They are used to produce Figures 2, 3, 4, 5, 6, 7, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, and 2...
Adamkiewicz_Figure1.zip Apr 1, 2025 - Data used in: Alexa Adamkiewicz et al., Coherent and Incoherent Excitation Pathways in Time-Resolved Photoemission Orbital Tomography of CuPc/Cu(001)-2O Unknown - 5.8 MB - SHA-256: 93667a15b44348f9ae300551efe6fe1f533931bb83589bbb5ab222be466769f3
Adamkiewicz_Figure2.zip Apr 1, 2025 - Data used in: Alexa Adamkiewicz et al., Coherent and Incoherent Excitation Pathways in Time-Resolved Photoemission Orbital Tomography of CuPc/Cu(001)-2O Unknown - 95.7 MB - SHA-256: a8cf25f100ed2ee977335ccc9f1f6e99a80c313bba828a6ec7f0b018ef90a4c7
Adamkiewicz_Figure3.zip Apr 1, 2025 - Data used in: Alexa Adamkiewicz et al., Coherent and Incoherent Excitation Pathways in Time-Resolved Photoemission Orbital Tomography of CuPc/Cu(001)-2O Unknown - 583.9 MB - SHA-256: dcd26228bdd795df74ff2749c832573ba54ff4ce0467449b48e13233729fe97d
Adamkiewicz_Figure4.zip Apr 1, 2025 - Data used in: Alexa Adamkiewicz et al., Coherent and Incoherent Excitation Pathways in Time-Resolved Photoemission Orbital Tomography of CuPc/Cu(001)-2O Unknown - 97.9 MB - SHA-256: a6dff7e62cb125fabceb8fd6834f380c4655e5071644f154563e21f503e0874a
Adamkiewicz_Figure5_data.z01 Apr 1, 2025 - Data used in: Alexa Adamkiewicz et al., Coherent and Incoherent Excitation Pathways in Time-Resolved Photoemission Orbital Tomography of CuPc/Cu(001)-2O Unknown - 500.0 MB - SHA-256: 5f960e535bbebb85187ab882d5cd2b4ccff4cdc352d56f7e2f06b180cf1b6aa6
Adamkiewicz_Figure5_data.z02 Apr 1, 2025 - Data used in: Alexa Adamkiewicz et al., Coherent and Incoherent Excitation Pathways in Time-Resolved Photoemission Orbital Tomography of CuPc/Cu(001)-2O Unknown - 500.0 MB - SHA-256: 420ee8af84006bc15ddb31367ee2aff0488248c13ae026dcf6dac1e5047e8198

cube-files_B3LYP.zip

Apr 3, 2025 - Data used in: Tomographic identification of all molecular orbitals in a wide binding-energy range

Unknown - 32.1 MB - SHA-256: d5069acb0b362bca18a0ba338782dbf922d1271f377ea0f7ade4ce116b2577fb

ZIP archive contains cube files of 15 pi and 27 sigma orbitals of the isolated bisanthene molecule calculated using B3LYP functional by NWChem quantum chemistry package. They are used to produce Tables I and II.

cube-files_HSE.zip

Apr 3, 2025 - Data used in: Tomographic identification of all molecular orbitals in a wide binding-energy range

Unknown - 32.1 MB - SHA-256: 7209b3a168b21858ee7192b12a3e8c4023372c51b2b665279e5756a8574edab7

ZIP archive contains cube files of 15 pi and 27 sigma orbitals of the isolated bisanthene molecule calculated using HSE functional by NWChem quantum chemistry package. They are used to produce Figures 4 and 10 and Tables I and II.

cube-files_PBE0.zip

Apr 3, 2025 - Data used in: Tomographic identification of all molecular orbitals in a wide binding-energy range

Unknown - 32.1 MB - SHA-256: 46d8839deb404c276a657a4bee7e72128655574a96380a473c518e2a1cdd157b

ZIP archive contains cube files of 15 pi and 27 sigma orbitals of the isolated bisanthene molecule calculated using PBE0 functional by NWChem quantum chemistry package. They are used to produce Tables I and II.

cube-files_PBE.zip

Apr 3, 2025 - Data used in: Tomographic identification of all molecular orbitals in a wide binding-energy range

Unknown - 32.2 MB - SHA-256: b4ae5ee17b017c0e52fe474a0a3823438e124b82cb95e4920c9576c054cd1c4d

ZIP archive contains cube files of 15 pi and 27 sigma orbitals of the isolated bisanthene molecule calculated using PBE functional by NWChem quantum chemistry package. They are used to produce Figures 2, 3, 4, 5, 6, 7, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, and 2...

Adamkiewicz_Figure1.zip

Apr 1, 2025 - Data used in: Alexa Adamkiewicz et al., Coherent and Incoherent Excitation Pathways in Time-Resolved Photoemission Orbital Tomography of CuPc/Cu(001)-2O

Unknown - 5.8 MB - SHA-256: 93667a15b44348f9ae300551efe6fe1f533931bb83589bbb5ab222be466769f3

Adamkiewicz_Figure2.zip

Apr 1, 2025 - Data used in: Alexa Adamkiewicz et al., Coherent and Incoherent Excitation Pathways in Time-Resolved Photoemission Orbital Tomography of CuPc/Cu(001)-2O

Unknown - 95.7 MB - SHA-256: a8cf25f100ed2ee977335ccc9f1f6e99a80c313bba828a6ec7f0b018ef90a4c7

Adamkiewicz_Figure3.zip

Apr 1, 2025 - Data used in: Alexa Adamkiewicz et al., Coherent and Incoherent Excitation Pathways in Time-Resolved Photoemission Orbital Tomography of CuPc/Cu(001)-2O

Unknown - 583.9 MB - SHA-256: dcd26228bdd795df74ff2749c832573ba54ff4ce0467449b48e13233729fe97d

Adamkiewicz_Figure4.zip

Apr 1, 2025 - Data used in: Alexa Adamkiewicz et al., Coherent and Incoherent Excitation Pathways in Time-Resolved Photoemission Orbital Tomography of CuPc/Cu(001)-2O

Unknown - 97.9 MB - SHA-256: a6dff7e62cb125fabceb8fd6834f380c4655e5071644f154563e21f503e0874a

Adamkiewicz_Figure5_data.z01

Apr 1, 2025 - Data used in: Alexa Adamkiewicz et al., Coherent and Incoherent Excitation Pathways in Time-Resolved Photoemission Orbital Tomography of CuPc/Cu(001)-2O

Unknown - 500.0 MB - SHA-256: 5f960e535bbebb85187ab882d5cd2b4ccff4cdc352d56f7e2f06b180cf1b6aa6

Adamkiewicz_Figure5_data.z02

Apr 1, 2025 - Data used in: Alexa Adamkiewicz et al., Coherent and Incoherent Excitation Pathways in Time-Resolved Photoemission Orbital Tomography of CuPc/Cu(001)-2O

Unknown - 500.0 MB - SHA-256: 420ee8af84006bc15ddb31367ee2aff0488248c13ae026dcf6dac1e5047e8198

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