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16 votes

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Relationship between the symmetry number of a molecule as used in rotational spectroscopy and point group

answered Mar 6, 2019 at 17:41

15 votes

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How are there two C3 rotation axes in ammonia?

answered Feb 5, 2021 at 14:27

9 votes

Why is NH2 negatively charged?

answered Feb 5, 2015 at 19:20

8 votes

Number of stereoisomers and symmetry of pentane-2,3,4-triol

answered Jul 27, 2017 at 0:18

8 votes

Is the differential, dp, exact or not?

answered Mar 9, 2019 at 0:05

7 votes

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Reaction between NaOH and CO2

answered Jul 22, 2017 at 13:16

6 votes

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What are the differences between the Hilbert space and real space representations in chemistry?

answered Oct 13, 2017 at 11:24

6 votes

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Linear Combination of Atomic Orbitals

answered Mar 8, 2019 at 0:23

5 votes

Reference states for molecular orbital energies in DFT calculations

answered Mar 8, 2019 at 23:24

5 votes

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Phases of Atomic or Molecular Orbitals

answered Nov 10, 2017 at 23:46

5 votes

Computing the commutator of the Fock and density matrices in AO basis (Hartree-Fock theory)

answered Mar 5, 2020 at 20:47

4 votes

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Variational (Rayleigh-Ritz) method and multielectron wavefunction

answered Apr 25, 2022 at 19:10

4 votes

How do you calculate the correct charge on F after F2 dissociates?

answered May 9, 2019 at 20:36

4 votes

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Why does enantiopure sec-butyl alcohol retain its optical activity over aqueous base but forms a racemic mixture over dilute sulphuric acid?

answered Jul 22, 2017 at 22:40

3 votes

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Why only molecules with three or more atoms undergo unimolecular reaction?

answered Jul 22, 2017 at 20:36

3 votes

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Can absolute enthalpy values be used to determine reaction enthalpy?

answered Oct 16, 2017 at 21:42

3 votes

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Probability density "AT" the nucleus?

answered Aug 5, 2019 at 20:59

3 votes

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charge density as a measure of lattice enthalpy & polarizing power?

answered Feb 4, 2021 at 15:18

3 votes

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Which has higher priority between unsaturated ring and unsaturated chain in the nomenclature of organic compounds?

answered May 12, 2021 at 11:16

2 votes

Which element has a greater second electron affinity, sulfur or oxygen?

answered Oct 9, 2017 at 13:22

2 votes

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Truncated CI Wavefunction

answered Mar 5, 2019 at 22:12

2 votes

Thought experiment for evaluating total energy

answered Jul 27, 2017 at 17:31

2 votes

Bromine monochloride equilibrium

answered Jul 26, 2017 at 23:34

1 vote

Why only structures corresponding to valleys on PES are taken into account?

answered Sep 28, 2017 at 11:03

1 vote

Estimating stability and mean life of anomalous tautomers

answered Mar 6, 2019 at 22:01

1 vote

Heat of reaction for the decomposition of AgCl means?

answered Jan 2, 2021 at 15:52

1 vote

Does the volume of solution increase during a neutralisation reaction?

answered Apr 26, 2022 at 12:59

1 vote

Systematic and preferred names of acetamide

answered Apr 26, 2022 at 13:37

1 vote

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Potential Energy Curve from Hartree-Fock Calculations

answered Mar 22, 2021 at 16:19

0 votes

Spontaneous reaction between chlorine and a hypothetical atom

answered Apr 26, 2022 at 12:05

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32 Answers

Relationship between the symmetry number of a molecule as used in rotational spectroscopy and point group

How are there two C3 rotation axes in ammonia?

Why is NH2 negatively charged?

Number of stereoisomers and symmetry of pentane-2,3,4-triol

Is the differential, dp, exact or not?

Reaction between NaOH and CO2

What are the differences between the Hilbert space and real space representations in chemistry?

Linear Combination of Atomic Orbitals

Reference states for molecular orbital energies in DFT calculations

Phases of Atomic or Molecular Orbitals

Computing the commutator of the Fock and density matrices in AO basis (Hartree-Fock theory)

Variational (Rayleigh-Ritz) method and multielectron wavefunction

How do you calculate the correct charge on F after F2 dissociates?

Why does enantiopure sec-butyl alcohol retain its optical activity over aqueous base but forms a racemic mixture over dilute sulphuric acid?

Why only molecules with three or more atoms undergo unimolecular reaction?

Can absolute enthalpy values be used to determine reaction enthalpy?

Probability density "AT" the nucleus?

charge density as a measure of lattice enthalpy & polarizing power?

Which has higher priority between unsaturated ring and unsaturated chain in the nomenclature of organic compounds?

Which element has a greater second electron affinity, sulfur or oxygen?

Truncated CI Wavefunction

Thought experiment for evaluating total energy

Bromine monochloride equilibrium

Why only structures corresponding to valleys on PES are taken into account?

Estimating stability and mean life of anomalous tautomers

Heat of reaction for the decomposition of AgCl means?

Does the volume of solution increase during a neutralisation reaction?

Systematic and preferred names of acetamide

Potential Energy Curve from Hartree-Fock Calculations

Spontaneous reaction between chlorine and a hypothetical atom