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

17
Is it correct to say that ethenol is an alcohol?
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
Is it correct to talk about an empty orbital?
chemistry.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
How to do Lowdin symmetric orthonormalisation?
chemistry.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

10
Is it possible for a substance to absorb a longer wavelength of EM wave and emit a shorter wavelength?
chemistry.stackexchange.com

10
Do MO's span a bond or the whole molecule?
chemistry.stackexchange.com

9
Is SbF5 symmetrical?
chemistry.stackexchange.com

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

8
Use of basis set in DFT (Density Functional Theory)
chemistry.stackexchange.com

7
Why do we need static coalitions?
politics.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
Does ,,sich beschäftigen um jn." sound natural to native speakers?
german.stackexchange.com

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

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

6
Why a TS must have only one negative frequency
chemistry.stackexchange.com

6
How to determine whether inversion takes place?
chemistry.stackexchange.com

6
What is the purpose of calculating other orbitals than HOMO and LUMO?
chemistry.stackexchange.com

6
What defines basis sets in computational chemistry?
chemistry.stackexchange.com

6
Chirality of biphenyls
chemistry.stackexchange.com

6
Do modern dispersion-corrected DFT methods give more accurate molecular geometries?
chemistry.stackexchange.com

6
Is there such a thing as an acid without a hydrogen?
chemistry.stackexchange.com

6
Can atoms other than hydrogen be reduced to a bar nucleus?
chemistry.stackexchange.com

6
Are bi-cycles chiral molecules?
chemistry.stackexchange.com

5
Quantitative MO theory- how is the overlap integral and the weighting coefficients of the molecular orbital actually evaluated?
chemistry.stackexchange.com

5
Ab initio calculations
chemistry.stackexchange.com

5
What chemical is safe for humans in low doses, and can be tracked by a satillite
chemistry.stackexchange.com

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