TY  - GEN 
AU  - Kumar, Anmol
AU  - López, Rafael
AU  - Martínez, Frank
AU  - Ramírez, Guillermo
AU  - Ema, Ignacio
AU  - Zorrilla Cuenca, David
AU  - Yeole, Sachin D.
AU  - Gadre, Shridhar R.
A4  - Química Física
PY  - 2022
SN  - 0010-4655
UR  - http://hdl.handle.net/10498/27936
AB  - A new version of the DAMQT package specially developed for large systems is reported. The graphical part has been entirely redesigned, using new OpenGL libraries (versions 3.3 or higher) for 3D display. Several 2D plotters and 3D viewers can be...
LA  - eng
PB  - ELSEVIER
KW  - Electron density
KW  - Electrostatic potential
KW  - Molecular density topology
KW  - Sigma-hole
KW  - Electrostatics for Intermolecular
KW  - Complexation
KW  - Hellmann-Feynman forces
TI  - DAMQT 3: Advanced suite for the analysis of molecular density and related properties in large systems
DO  - 10.1016/j.cpc.2022.108460
ER  -