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Some problems about dispersion term with code

Status: Open.

#38 In usnistgov/COSMOSAC;

· GYQ961 opened on Mar 29, 2025

Problems with example script (missing attributes in module cCOSMO)

Status: Open.

#37 In usnistgov/COSMOSAC;

· gullbrekken opened on Feb 23, 2025

p(sigma) in VT-2005

Status: Open.

#33 In usnistgov/COSMOSAC;

· GYQ961 opened on Dec 23, 2024

Zwitterions // Quaternary nitrogens

Status: Open.

#32 In usnistgov/COSMOSAC;

· thomvet opened on Dec 16, 2024

Inquiry on Extending Sigma Profile Range and Calculating Ionic States

Status: Open.

#31 In usnistgov/COSMOSAC;

· nakamori-1 opened on Oct 8, 2024

E(misfit), E(hb), E(vdW) and E(Int)

Status: Open.

#29 In usnistgov/COSMOSAC;

· gandhiforbes opened on Jun 24, 2023

GAMESS input

Status: Open.

#23 In usnistgov/COSMOSAC;

· k95g opened on Jul 28, 2022

Adding new sigma profile

Status: Open.

#20 In usnistgov/COSMOSAC;

· Neverland-ss opened on Mar 26, 2022

What is a correct .cosmo file style

Status: Open.

#14 In usnistgov/COSMOSAC;

· GangqiangYu opened on May 26, 2021

Calculation of activity coefficients for mixed systems containg ionic liquids

Status: Open.

#13 In usnistgov/COSMOSAC;

· GangqiangYu opened on Apr 26, 2021

Issues with getting cosmo files from DMOL3

Status: Open.

#10 In usnistgov/COSMOSAC;

· drdrjacobs opened on Oct 7, 2020

Dispersion Contribution to Overall Activity Coefficient: Multi-Component Mixtures

Status: Open.

#3 In usnistgov/COSMOSAC;

· dmanheim89 opened on Jun 26, 2020