Dear Andrew,
I am a beginner! However, I would like to record my interpretation of the
concept you're confused about and evaluate it by what experts will comment
later.
I am pretty sure your first calculation of 2,7 kcal/mol is correct,
however, since ethane is symmetrical molecule you don't need
On 2012-10-27 03:02, Andrew DeYoung wrote:
Hi,
If you have time, may I ask a conceptual question about how dihedral angles
are specified in force fields?
Consider ethane, a two-carbon hydrocarbon (H_3C-CH_3). It has two carbon
atoms and six hydrogen atoms. Call the carbons C1 and C2. Hydroge
Hi,
If you have time, may I ask a conceptual question about how dihedral angles
are specified in force fields?
Consider ethane, a two-carbon hydrocarbon (H_3C-CH_3). It has two carbon
atoms and six hydrogen atoms. Call the carbons C1 and C2. Hydrogens H1,
H2, and H3 are bonded to C1. Hydrogen
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