1,391 to 1,400 of 130,338 Results
Plain Text - 3.8 KB -
MD5: c230eb733a246927b340d18abf585569
|
Comma Separated Values - 15.4 KB -
MD5: bedaada9978b2c9ac2edd3bea9ef595d
|
MS Excel Spreadsheet - 20.9 KB -
MD5: 115652b8344e43ecfee1d1d04f83fc89
|
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 |
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 |
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 |
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 |
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 |
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 |
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 |