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About the Chemistry category
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0
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787
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December 4, 2020
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How to get dipole moments for a molecule in Atomic Orbital basis within the Julia ecosystem?
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1
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203
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July 6, 2025
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Time-plotting the derivative of a species (reaction velocity) in catalyst
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1
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126
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June 16, 2025
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Using Catalyst ODEproblem and algebraic equations
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4
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144
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April 25, 2025
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Time dependent inputs to reaction network in Catalyst
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5
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250
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February 11, 2025
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JuliaMolSim community
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0
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193
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January 29, 2025
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How to solve the non linear Coupled Cluster equations using Inexact Newton with DIIS?
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1
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216
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June 16, 2024
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Zero Order Extinction Reaction
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21
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907
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March 27, 2024
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@unpack from Catalyst reaction system and unused variables
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9
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374
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February 26, 2024
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Failed to use OpenSmiles
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0
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196
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January 29, 2024
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Combining Catalyst DSL models and ModelingToolkit explicit ODE models
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18
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1487
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November 28, 2023
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AIP has a call for papers for software in Chemical Physics
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1
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294
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October 17, 2023
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Calling Cantera using PyCall from within DifferentialEquations function
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2
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462
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October 14, 2023
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Any crystallography and material structure package suggestions?
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7
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1250
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July 18, 2023
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ElementaryChemistry.jl
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3
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757
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January 30, 2023
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Computing titration curves
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12
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1679
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December 11, 2022
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CAS Common Chemistry
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3
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1229
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October 1, 2022
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How to convert a molecule(s) to bitvector to matrix
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7
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486
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September 24, 2022
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How to model a chemical reaction network with changing parameters? (Catalyst.jl)
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5
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983
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April 14, 2022
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Is there a direct link function for chemical process simulator like Aspen plus in Julia like in Matlab or python through COM technology?
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4
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785
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April 7, 2022
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How to convert a String to a Reaction/ReactionSystem type (Catalyst.jl)?
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1
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791
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January 29, 2022
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How does ModelingToolkit substitute the u0map?
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2
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657
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December 7, 2021
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Solving chemical systems of equations with both equilibrium and kinetic species
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1
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1147
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September 25, 2021
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Constraints in Catalyst.jl for weak acids and pH equilibrium
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2
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1102
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September 12, 2021
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Error when calculating RHS of reaction ode "no method matching Float64(::Num)"
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4
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795
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July 10, 2021
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Rdkit in Julia
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0
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1488
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May 5, 2021
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Trying to use textbook with ChemEquations.jl package
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2
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1002
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February 17, 2021
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Brusselator and Catalyst
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3
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848
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January 30, 2021
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Chemfiles -- contains
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2
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635
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January 17, 2021
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Packages used to create animated reaction systems
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2
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799
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December 31, 2020
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