<p>The reaction Gibbs energies for reactions of PIC and ISO with •OH in the gas phase and water (in kJ/mol).</p
The standard Gibbs energy of reaction enables calculation of the driving force of a (bio)chemical r...
<p>Activation energies, activation entropies and activation free energies for the nucleation and agg...
One of two fundamental types of solute-solvent intermolecular interactions are the specific interact...
<p>The reaction Gibbs energies for reactions of PIC and ISO with •OOH in the gas phase and water (in...
<p>The reaction enthalpies at 298K for reactions of PIC and ISO with •OOH in the gas phase and water...
<p>The relative energies (in kJ/mol) were calculated at the M05-2X/6-311++G(d,p) + ZPE level. To fac...
<p>The relative energies (in kJ/mol) were calculated at the M05-2X/6-311++G(d,p) + ZPE level. To fac...
<p>The barrier heights of TS with zero-point energy corrections for reactions of PIC and ISO with •O...
<p>The barrier heights of TS with zero-point energy corrections for reactions of PIC and ISO with •O...
<p>The reaction enthalpies (Δ<i>H</i>), reaction Gibbs energies (Δ<i>G</i>) and energy barrier heigh...
<p>Gibbs free energy of central catabolic reactions of the metabolic network considered at 298.15 K,...
<p>Comparison of standard transformed reaction Gibbs energy estimates based on component contributio...
Learning how to estimate thermodynamic quantities and how to use estimates extends the usefulness of...
<p>Relative energies to the separated reactants from single point solvation (CPCM) calculations usin...
<p>The relative energies (in kJ/mol) were calculated at the M05-2X/6-311++G(d,p) + ZPE level. To fac...
The standard Gibbs energy of reaction enables calculation of the driving force of a (bio)chemical r...
<p>Activation energies, activation entropies and activation free energies for the nucleation and agg...
One of two fundamental types of solute-solvent intermolecular interactions are the specific interact...
<p>The reaction Gibbs energies for reactions of PIC and ISO with •OOH in the gas phase and water (in...
<p>The reaction enthalpies at 298K for reactions of PIC and ISO with •OOH in the gas phase and water...
<p>The relative energies (in kJ/mol) were calculated at the M05-2X/6-311++G(d,p) + ZPE level. To fac...
<p>The relative energies (in kJ/mol) were calculated at the M05-2X/6-311++G(d,p) + ZPE level. To fac...
<p>The barrier heights of TS with zero-point energy corrections for reactions of PIC and ISO with •O...
<p>The barrier heights of TS with zero-point energy corrections for reactions of PIC and ISO with •O...
<p>The reaction enthalpies (Δ<i>H</i>), reaction Gibbs energies (Δ<i>G</i>) and energy barrier heigh...
<p>Gibbs free energy of central catabolic reactions of the metabolic network considered at 298.15 K,...
<p>Comparison of standard transformed reaction Gibbs energy estimates based on component contributio...
Learning how to estimate thermodynamic quantities and how to use estimates extends the usefulness of...
<p>Relative energies to the separated reactants from single point solvation (CPCM) calculations usin...
<p>The relative energies (in kJ/mol) were calculated at the M05-2X/6-311++G(d,p) + ZPE level. To fac...
The standard Gibbs energy of reaction enables calculation of the driving force of a (bio)chemical r...
<p>Activation energies, activation entropies and activation free energies for the nucleation and agg...
One of two fundamental types of solute-solvent intermolecular interactions are the specific interact...
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