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4,281 to 4,290 of 131,222 Results
compare.py
Feb 28, 2025 - Replication Data for: "Fractional charging of electronically open molecules: An explicit projection operator approach"
Python Source Code - 2.8 KB - MD5: 3707dcb6f0acac83d51e72bd590b7631
Python script comparing the fractional charging calculated with Redfield theory and damped response theory
eT.inp
Feb 28, 2025 - Replication Data for: "Fractional charging of electronically open molecules: An explicit projection operator approach"
Unknown - 11.5 KB - MD5: 04473f4935ebb409e98e88735598e685
Input file for the electronic structure program eT
eT.mo_information.out
Feb 28, 2025 - Replication Data for: "Fractional charging of electronically open molecules: An explicit projection operator approach"
Unknown - 2.9 MB - MD5: c060a715c27064c199783d903e121a8d
Orbital information generated by running the eT.inp file with the eT program
geometry.xyz
Feb 28, 2025 - Replication Data for: "Fractional charging of electronically open molecules: An explicit projection operator approach"
Co-Ordinate Animation - 8.7 KB - MD5: a35b8ad78cffe8e7229f23413e0b528b
Geometry file in xyz format used for the calculations in the related publication
redfield.py
Feb 28, 2025 - Replication Data for: "Fractional charging of electronically open molecules: An explicit projection operator approach"
Python Source Code - 7.0 KB - MD5: bcdf5e71e5019ccb599c7b58ed884e51
Python script calculating fractional charging with Redfield theory
response.py
Feb 28, 2025 - Replication Data for: "Fractional charging of electronically open molecules: An explicit projection operator approach"
Python Source Code - 5.4 KB - MD5: e430612408e5a0e7f1e31cab76303adb
Python script calculating fractional charging with damped response theory
sys_env.py
Feb 28, 2025 - Replication Data for: "Fractional charging of electronically open molecules: An explicit projection operator approach"
Python Source Code - 5.7 KB - MD5: b10cff59ed5aa3921de5c628386493ee
Python script containing classes used by the other Python scripts
00_Readme.txt
Feb 27, 2025 - Replication Data for: Unpacking drivers of online censorship endorsement: Psychological and demographic factors
Plain Text - 7.9 KB - MD5: c08a78ffa79d2400766ca97d92b26469
The raw data, SPSS file, .sav (user-friendly format)
01_CensorshipEndorsement-Data-2025-02-23.sav
Feb 27, 2025 - Replication Data for: Unpacking drivers of online censorship endorsement: Psychological and demographic factors
SPSS Binary - 21.8 KB - MD5: 7f29f5ff53ed64b5b34f6ee90454054d
Readme file, including variables and their associated labels in the SPSS files
02_CensorshipEndorsement-Data-2025-02-23.dat
Feb 27, 2025 - Replication Data for: Unpacking drivers of online censorship endorsement: Psychological and demographic factors
Fixed Field Text Data - 34.1 KB - MD5: e65cc62ff8c1d0c95f9e44e83281ef11
The raw data, SPSS file, .dat (open format)
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