Chemistry
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Deathbreath's user avatar
Deathbreath's user avatar
Deathbreath
  • Member for 11 years, 4 months
  • Last seen more than 1 year ago
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Top posts
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All Questions Answers
Score Newest
answer
7
How should I go about picking a functional for DFT calculations?
Jul 19, 2012
answer
6
What is the difference between temperature and thermodynamic temperature?
Jul 24, 2012
answer
6
Intrinsic Reaction Coordinate - What does 'Connectivity' really mean?
Feb 14, 2013
answer
5
Redundant out of plane bends in gaussian not recognised
Sep 18, 2017
answer
4
Basis sets that can be used for macrocyclic complexes
Dec 25, 2012
answer
4
Obtain chemical insight from neural network results
Mar 1, 2013
answer
4
Chemical reaction calculator
Mar 8, 2013
answer
3
Bonding and anti-bonding orbitals in the light of time-dependent Schrödinger equation?
Mar 13, 2013
answer
3
Small but modest displacements at negligible forces from DFT
Feb 12, 2018
answer
2
Completely chemically inert metal alloy?
Jan 4, 2013
Top network posts
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19
To what extent is generic and meta-programming using C++ templates useful in computational science?
12
Enumeration of graphs deriving from Delaunay tessellations in 3D
8
C++ library for graphs with maximum common subgraph solver
8
Efficient Enumeration and Parameterization of Graphs Deriving from Delaunay Tesselations in 3D
8
Why does iteratively solving the Hartree-Fock equations result in convergence?

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