B. Kelly's user avatar
B. Kelly's user avatar
B. Kelly's user avatar
B. Kelly
  • Member for 3 years, 7 months
  • Last seen more than a month ago
13 votes

Is the differential, dp, exact or not?

8 votes

Define, (actually define) the "stability" and "energy" of a compound

6 votes

Minimizing energy of a molecule

5 votes

Z-Matrix Generator for Gaussian

4 votes

Why is heat capacity defined as a partial derivative?

4 votes
Accepted

How do water models fit into force field methods?

3 votes

What proportion of a combustion engine's output energy comes from the air?

3 votes
Accepted

Spin Operator algebra

3 votes
Accepted

Dynamic equilibrium in unsaturated solutions

2 votes

What all information can be gathered qualitatively from the radial distribution functions of a molecule?

2 votes

Calculating the total uncertainty of the final product

2 votes

Determining the torsion energy profile of butadiene by molecular dynamics

2 votes

Numerically solving chemical equilibrium equations

2 votes

Does reaction quotient Q take into account pure solids and liquids?

2 votes
Accepted

Meaning of an ideal chemical system

2 votes

Work done in an irreversible process

2 votes

Simple alternative to UNIFAC to prove that a mixture containing 1ml of x and 5 litres of propylene glycol is not flammable?

2 votes

Verifying data acquired from a molecular dynamics simulation

1 vote

Reason for the formation of azeotropes

1 vote

Where does the potential energy of capillary action come from?

1 vote

What happens when chemical equilibrium is restored after being disturbed?

1 vote

Real gas equation at high molar volume

1 vote

Why does increase in pressure cause a increase in boiling point

1 vote
Accepted

Radial pair distribution function (VMD). How to define it for a water NaCl system with multiple Na and Cl?

1 vote

Can an exothermic (endothermic) process increase (decrease) internal energy?

1 vote
Accepted

Software that determines whether a molecule can exist and draw it from a formula?

0 votes
Accepted

Rate of change of reaction rate of 0th, 1st, 2nd order reaction?