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127,021 to 127,030 of 131,193 Results
Replication Data for: Fully Polarizable QM/Fluctuating Charge Approach to Two-Photon Absorption of Aqueous Solutions
Mar 27, 2019 - UiT The Arctic University of Norway
Di Remigio, Roberto; Giovannini, Tommaso; Ambrosetti, Marco; Cappelli, Chiara; Frediani, Luca, 2019, "Replication Data for: Fully Polarizable QM/Fluctuating Charge Approach to Two-Photon Absorption of Aqueous Solutions", https://doi.org/10.18710/C9OZWV, DataverseNO, V1
This dataset contains raw input and output files for the LSDALTON calculations reported in "Fully Polarizable QM/Fluctuating Charge Approach to Two-Photon Absorption of Aqueous Solutions". The version of LSDALTON used for this paper uses three input files: - a .dal file with inpu...
01_ReadMe_File.txt
Mar 27, 2019 - Replication Data for: Fully Polarizable QM/Fluctuating Charge Approach to Two-Photon Absorption of Aqueous Solutions
Plain Text - 1.4 KB - MD5: d5eb237442581b7363ea3defd563e678
CAMB3LYP.dal
Mar 27, 2019 - Replication Data for: Fully Polarizable QM/Fluctuating Charge Approach to Two-Photon Absorption of Aqueous Solutions
Unknown - 173 B - MD5: 91513cf0a4365eddd67909c031b6baac
CAMB3LYP_pcm.dal
Mar 27, 2019 - Replication Data for: Fully Polarizable QM/Fluctuating Charge Approach to Two-Photon Absorption of Aqueous Solutions
Unknown - 193 B - MD5: 5f67ff58ad9bb545ea677c81d55c87e4
CAMB3LYP_pcm_Rh6Ga-water_631pGs_water_4_2_10.out
Mar 27, 2019 - Replication Data for: Fully Polarizable QM/Fluctuating Charge Approach to Two-Photon Absorption of Aqueous Solutions
Unknown - 175.2 KB - MD5: ad991adc20ff389e6bc8be66bfa7fa06
CAMB3LYP_pcm_Rh6G_frame0_631pGs_frame0_mmfq_4_2_10.out
Mar 27, 2019 - Replication Data for: Fully Polarizable QM/Fluctuating Charge Approach to Two-Photon Absorption of Aqueous Solutions
Unknown - 179.6 KB - MD5: 66576566ae91a3b564b46f9a6f23f6ea
CAMB3LYP_pcm_Rh6G_frame0_631pGs_frame0_mmfq_4_2_10.out
Mar 27, 2019 - Replication Data for: Fully Polarizable QM/Fluctuating Charge Approach to Two-Photon Absorption of Aqueous Solutions
Unknown - 172.0 KB - MD5: 878ad5dd9bb57ea4ece0ae3b0eb8bd05
CAMB3LYP_pcm_Rh6G_frame100_631pGs_frame100_mmfq_4_2_10.out
Mar 27, 2019 - Replication Data for: Fully Polarizable QM/Fluctuating Charge Approach to Two-Photon Absorption of Aqueous Solutions
Unknown - 176.3 KB - MD5: 5549982ec403d3f46610878039e05327
CAMB3LYP_pcm_Rh6G_frame100_631pGs_frame100_mmfq_4_2_10.out
Mar 27, 2019 - Replication Data for: Fully Polarizable QM/Fluctuating Charge Approach to Two-Photon Absorption of Aqueous Solutions
Unknown - 176.1 KB - MD5: 9f03ea6c65bd48b782314c9b5e7c7c45
CAMB3LYP_pcm_Rh6G_frame10_631pGs_frame10_mmfq_4_2_10.out
Mar 27, 2019 - Replication Data for: Fully Polarizable QM/Fluctuating Charge Approach to Two-Photon Absorption of Aqueous Solutions
Unknown - 172.2 KB - MD5: 12397ca9308c861ad7b3146be9d39fb7
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