<p>The ordinate depicts the total enthalpy in kJ/mol of 5 molecular states (listed on the abscissa) related to the formation of an amide bond between 14 pairs of gas phase amino acids.</p
Most non-associated organic and inorganic compounds are shown to obey the principle of corresponding...
<p>Total energy for 5 states to polymer formation comparing 7 ethylene glycol pairs with the upper a...
This paper reports an experimental and theoretical study of the gas phase standard (p° = 0.1 MPa) mo...
Accurate gas-phase enthalpies of formation (Δ<sub>f</sub><i>H</i><sub>298</sub><sup>°</sup>) of 20 c...
Computational challenges toward an accurate determination of the enthalpies of formation of amino ac...
Acrylic acid is a key industrial compound with numerous uses. Despite its importance, its enthalpy o...
Methionine (2-amino-4-(methylthio)butanoic acid) is a sulfur-containing essential α-amino acid. Desp...
The inversion reaction coordinate of free amino acids (alanine, aspartic acid) have been computation...
<p>The minimum pairwise interaction energy (kcal/mol) of 20 amino acids from all-atom MD simulation ...
The gas phase enthalpy of formation of the amino acid containing selenium, selenocysteine, has been ...
Bond dissociation energies (BDEs), radical stabilization energies (RSEs) and the enthalpies of forma...
International audienceThe present article is the third part of a general overview of the gas-phase p...
The concept of enthalpy-entropy compensation (EEC) is one of the highly debated areas of thermodynam...
a<p> Calculated binding energies do not include entropy term.</p><p>Predicted relative MM-GBSA free ...
The gas-phase acidities of the 20 l-amino acids have been predicted at the composite G3(MP2) level....
Most non-associated organic and inorganic compounds are shown to obey the principle of corresponding...
<p>Total energy for 5 states to polymer formation comparing 7 ethylene glycol pairs with the upper a...
This paper reports an experimental and theoretical study of the gas phase standard (p° = 0.1 MPa) mo...
Accurate gas-phase enthalpies of formation (Δ<sub>f</sub><i>H</i><sub>298</sub><sup>°</sup>) of 20 c...
Computational challenges toward an accurate determination of the enthalpies of formation of amino ac...
Acrylic acid is a key industrial compound with numerous uses. Despite its importance, its enthalpy o...
Methionine (2-amino-4-(methylthio)butanoic acid) is a sulfur-containing essential α-amino acid. Desp...
The inversion reaction coordinate of free amino acids (alanine, aspartic acid) have been computation...
<p>The minimum pairwise interaction energy (kcal/mol) of 20 amino acids from all-atom MD simulation ...
The gas phase enthalpy of formation of the amino acid containing selenium, selenocysteine, has been ...
Bond dissociation energies (BDEs), radical stabilization energies (RSEs) and the enthalpies of forma...
International audienceThe present article is the third part of a general overview of the gas-phase p...
The concept of enthalpy-entropy compensation (EEC) is one of the highly debated areas of thermodynam...
a<p> Calculated binding energies do not include entropy term.</p><p>Predicted relative MM-GBSA free ...
The gas-phase acidities of the 20 l-amino acids have been predicted at the composite G3(MP2) level....
Most non-associated organic and inorganic compounds are shown to obey the principle of corresponding...
<p>Total energy for 5 states to polymer formation comparing 7 ethylene glycol pairs with the upper a...
This paper reports an experimental and theoretical study of the gas phase standard (p° = 0.1 MPa) mo...
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