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20
Difference between Coupled Cluster and Full CI
chemistry.stackexchange.com

17
What are the pitfalls for new users of DFT?
mattermodeling.stackexchange.com

17
What are some recent developments in density functional theory?
mattermodeling.stackexchange.com

17
Is it correct to say that ethenol is an alcohol?
chemistry.stackexchange.com

15
Is it correct to talk about an empty orbital?
chemistry.stackexchange.com

14
Why is a very small peak with larger m/z not considered to be the molecular ion?
chemistry.stackexchange.com

13
What are the types of charge analysis?
mattermodeling.stackexchange.com

13
How do we identify the molecular formula from the empirical formula of a completely unknown substance?
chemistry.stackexchange.com

13
Decimal places vs significant figures
chemistry.stackexchange.com

11
What is the procedure for constructing an ab initio potential energy surface for CH3Cl + Ar?
mattermodeling.stackexchange.com

11
Is there any legal mechanism for a citizen without resources, to be able to sue the state for infringing his/her constitutional rights?
law.stackexchange.com

11
How does one tell (or conclude) if a substance is carcinogenic?
chemistry.stackexchange.com

11
How to do Lowdin symmetric orthonormalisation?
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10
Use of basis set in DFT (Density Functional Theory)
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9
Analytic Hessians for meta-GGA functionals
mattermodeling.stackexchange.com

9
What are the types of SCF?
mattermodeling.stackexchange.com

9
What are the types of charge analysis?
mattermodeling.stackexchange.com

9
What do the rows and columns of a Fock matrix represent?
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9
Is SbF5 symmetrical?
chemistry.stackexchange.com

9
Is it possible for a substance to absorb a longer wavelength of EM wave and emit a shorter wavelength?
chemistry.stackexchange.com

9
Do MO's span a bond or the whole molecule?
chemistry.stackexchange.com

8
Which software is good with generally contracted basis sets?
mattermodeling.stackexchange.com

8
Is there a way to determine the orientation of a benzene-ring ethyl group in synthesis reactions?
chemistry.stackexchange.com

7
Does ,,sich beschäftigen um jn." sound natural to native speakers?
german.stackexchange.com

7
On the oxyacids of +III pnictogens and +IV chalcogens
chemistry.stackexchange.com

7
Are there properties that can only be calculated with a given set-up?
mattermodeling.stackexchange.com

7
Practical differences between storing 2-electron integrals and calculating them as needed?
chemistry.stackexchange.com

7
Why is the electronic wavefunction of helium a product of the two 1s wavefunctions when ignoring electron-electron repulsion?
chemistry.stackexchange.com

7
How to calculate the Fock matrix in the molecular orbital basis PySCF?
mattermodeling.stackexchange.com

7
Why do we need static coalitions?
politics.stackexchange.com

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