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edit approved Nov 19, 2016 at 17:45
pentavalentcarbon
edit approved Nov 19, 2016 at 17:45
pentavalentcarbon
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I am investigating potential energy surface characteristics of some electrostatic monomeric interactions (electrostatic) e.g. $\ce{F-H}$...$\ce{F-H}$.

I'm using dft/mp2(scs)DFT and SCS-MP2 to perform the necessary calculations for single point energyenergies.
Being a little short in basic idea, is Is it possible to compare single point energy with the electrostatic dimerization energy (electrostatic) of the monomers.?

A little conceptConcepts or reference on the concerned matterreferences will be highly appreciated.

I am investigating potential energy surface characteristics of some monomeric interactions (electrostatic) e.g. $\ce{F-H}$...$\ce{F-H}$.

I'm using dft/mp2(scs) to perform the necessary calculations for single point energy.
Being a little short in basic idea, is it possible to compare single point energy with dimerization energy (electrostatic) of monomers.

A little concept or reference on the concerned matter will be highly appreciated.

I am investigating potential energy surface characteristics of some electrostatic monomeric interactions e.g. $\ce{F-H}$...$\ce{F-H}$.

I'm using DFT and SCS-MP2 to perform the necessary calculations for single point energies. Is it possible to compare single point energy with the electrostatic dimerization energy of the monomers?

Concepts or references will be highly appreciated.

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edit approved Jun 19, 2015 at 13:50
Jaroslav Kotowski
edit approved Jun 19, 2015 at 13:50
Jaroslav Kotowski
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difference Difference between single point energy and dimerization energy

I am investigating potential energy surface characteristics of some monomeric interactions  (electrostatic) e.g. F-H$\ce{F-H}$...F-H$\ce{F-H}$.
I'm

I'm using dft/mp2(scs) to perform the necessary calculations for single point energy.
Being a little short in basic idea, is it possible to compare single point energy with dimerization energy  (electrostatic) betweenof monomers.

A little concept or reference on the concerned matter will be highly appreciated.

difference between single point energy and dimerization energy

I am investigating potential energy surface characteristics of some monomeric interactions(electrostatic) e.g. F-H...F-H.
I'm using dft/mp2(scs) to perform the necessary calculations for single point energy.
Being a little short in basic idea, is it possible to compare single point energy with dimerization energy(electrostatic) between monomers.

A little concept or reference on the concerned matter will be highly appreciated.

Difference between single point energy and dimerization energy

I am investigating potential energy surface characteristics of some monomeric interactions  (electrostatic) e.g. $\ce{F-H}$...$\ce{F-H}$.

I'm using dft/mp2(scs) to perform the necessary calculations for single point energy.
Being a little short in basic idea, is it possible to compare single point energy with dimerization energy  (electrostatic) of monomers.

A little concept or reference on the concerned matter will be highly appreciated.

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diffracteD
diffracteD
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difference between single point energy and dimerization energy

I am investigating potential energy surface characteristics of some monomeric interactions(electrostatic) e.g. F-H...F-H.
I'm using dft/mp2(scs) to perform the necessary calculations for single point energy.
Being a little short in basic idea, is it possible to compare single point energy with dimerization energy(electrostatic) between monomers.

A little concept or reference on the concerned matter will be highly appreciated.