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September 19, 2024, 07:36:50 PM

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About the relation between Paritition and LnPartition for NH3

Started by w_wonder

Replies: 7
Views: 3,544

June 13, 2023, 12:52:23 PM
by David Dubbeldam

Atomization energies in partition function for charged systems

Started by w_wonder

Replies: 1
Views: 1,950

June 13, 2023, 02:11:06 PM
by David Dubbeldam

How the partition function for propene in the RASPA manual was obtained?

Started by w_wonder

Replies: 1
Views: 1,874

June 13, 2023, 12:50:29 PM
by David Dubbeldam

Mismatch between experimental and modelled data - forcefields?

Started by Xaiver

Replies: 0
Views: 1,495

April 04, 2023, 03:12:19 AM
by Xaiver

Why the excess adsorption is negative, absolute adsorption is zero when doing MC

Started by YadiJiang

Replies: 2
Views: 4,463

December 09, 2021, 08:06:45 AM
by sara abbasi

Flexible-MOFs forcefield Issue

Started by YangLZ

Replies: 4
Views: 4,322

January 16, 2020, 06:13:10 PM
by David Dubbeldam

How to define cations positon from CIF but hold its "cation attribute" in RASPA

Started by ykz

Replies: 3
Views: 4,394

January 16, 2020, 06:15:21 PM
by David Dubbeldam

Difficult to install RASPA3 on Ubuntu 22.04

Started by Yu_Zhuochen

Replies: 0
Views: 459

June 20, 2024, 12:10:33 PM
by Yu_Zhuochen

About Atoms named xx+number in cif File which cannot be read by RASPA.

Started by Yu_Zhuochen

Replies: 1
Views: 1,917

June 13, 2023, 02:02:28 PM
by David Dubbeldam

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