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LordStryker's user avatar
LordStryker's user avatar
LordStryker
  • Member for 12 years, 2 months
  • Last seen this week
35 votes
Accepted

What do the quantum numbers actually signify?

31 votes
Accepted

Suggest methods and basis sets for a variety of systems

27 votes
Accepted

Dipole moment of cis-2-butene

24 votes
Accepted

Pros and cons of Cartesian vs. Z-matrix representations of molecules?

23 votes

How can I determine if there are π-π interactions between an amide and an aromatic ring in a protein?

18 votes
Accepted

How to find a transition state for an electrophilic addition with Gaussian and map the reaction pathway?

13 votes
Accepted

Does hydrogen peroxide exhibit intramolecular hydrogen bonding interactions?

13 votes

How to explain the dipole moment anomaly of methyl fluoride and methyl chloride with respect to their hydracids?

11 votes

DFT Functional Selection Criteria

11 votes

After completing an experiment, a student finds that the percentage yield exceeded 100%. What could have occurred to the sample to lead to this?

11 votes

When are Kp and Kc values equal?

10 votes
Accepted

Carbon dating: What to compare the new value against?

10 votes
Accepted

Is Linus Pauling's General Chemistry still readable and up-to-date today?

8 votes
Accepted

What is the point of introducing virtual orbitals in Hartree-Fock calculations?

8 votes
Accepted

Naming of quantum chemistry basis sets

8 votes
Accepted

What's the bonding in the diborane(6)- hydrogen chloride dimer?

8 votes
Accepted

How to read TINKER's force field parameters

8 votes

How is the bond length calculated from the total electronic energy?

6 votes

Why are the calculated NMR values on the DFT & GIAO level of cyclopentane-1,3-dione so far off?

6 votes

Simplest way to balance any chemical equation

6 votes

Is this really a comparison of the absolute energies in the reaction energy profile for ester formation?

5 votes
Accepted

Why does water break salt really

5 votes
Accepted

Is the transformation of pi bonds to sigma bonds always energetically favorable?

5 votes

Why does helium seem to exhibit an ionization energy affected by the shielding of electrons?

5 votes

How can we write the wave function in quantum mechanics?

4 votes

Schrödinger equation and wave function

4 votes

How to calculate the mass of phosgene in the equilibrium mixture of carbon dioxide and chlorine?

4 votes
Accepted

What tools can be used to estimate binding energies?

4 votes
Accepted

Planes of Symmetry and Chirality

3 votes

Intermolecular forces in Carbon Nanotubes?