... interaction **energy** term, from = 1 (full interaction) to = 0 (no electrostatic interaction), in steps ( of ...Waals **energy** interaction term, from = 1 (full interaction) to = 0 (no interaction) in ...

35

... between **free** surface **energy** and roughness, a simple regression analysis was carried ...surface **free** **energy** revealed significant correlation with surface roughness (correlation coefficient was ...

12

... surface **free** **energy** results derived from the measurement of contact angles of 3 liquids with different degrees of dispersive and non-dispersive interactions according to the method of Van Oss et ...

11

... internal **energy** undergone by either the drug or the DNA molecules upon ...binding **free** **energy** is hampered by uncertainties regarding their particular conformation in the unbound state, limitations ...

11

... the **free** energies of the correspond- ing equilibrium ensembles can be calculated by repeating the switching process many times, each time starting from an equilibrium ensemble, and taking the above average of the ...

6

... minimum **free** **energy** state when the surfaces are far apart, at closer separations the LSC becomes the equilibrium ...the **energy** barrier between the HSC and LSC phases, and the duration of the ...

32

... The **Energy** Surface **Free** **Energy** calculations were performed according to the OWRK/Fowkes method using the OneAttension program (Biolin Scientific, Stockholm, Sweden), and the results were reported in ...

11

... the **energy** barrier; whereas DG ◦ (R →TS) could be adequate for processes in solution when non-inverted **free** **energy** reaction proﬁles are found – see ...

8

... **free** **energy** which tends to diminish at the expense of an increase in entropy, when a system changes from one state to another by means of variation in temperature at a constant ...Gibbs **free** ...

7

... surface **free** **energy**, polarity, and work of adhesion of intact and shaved peach surfaces were calculated from contact angle measurements of water, glycerol, and ...surface **free** **energy** chiefly ...

11

... We analyze the thermodynamic properties of a simplified model for folded RNA molecules recently studied by G. Vernizzi, H. Orland, A. Zee (in Phys. Rev. Lett. 94 (2005) 168103). The model consists of a chain of ...

13

... Thermal correction to Gibbs Free Energy= Sum of electronic and zero-point Energies= Sum of electronic and thermal Energies= Sum of electronic and thermal Enthalpies= Sum of electronic an[r] ...

652

... Formation of intermediate 10 in route A weakens the amino bond with the C4' carbon as deduced from the increase in the C4'-N distance between the carbinolamine 6 (1.47 A) and the intermediate 10 (1.58 A). Additionally, ...

217

... the **energy** and irreversibility, with the aim of finding differences between three mathematical models for predicting thermodynamic properties [14, 18, ...Gibbs **free** **energy**, was employed to compared ...

12

... **free** **energy** per electron increases with B due to the increase in magnetic ...Hartree **energy** per electron ...Hartree **energy** changes sign because the **free**-electron density is lower than ...

9

... the **free** **energy** cost of vesicle formation by using equi- librium ...this **free** **energy** to formulate a kinetic model for vesicle formation in terms of a Fokker-Planck equa- tion and to analyze ...

14

... Calculations of the total energy, disorder entropy, and vibration (phonon) contributions are combined to obtain the free energy of formation of those materials relative to a combinatio[r] ...

5

... - **Free** **energy** difference (Bennett, 1976) Finite-size scaling approaches - Landau **free** **energy** (Binder, 1982) Test area (TA) method - **Free** **energy** perturbation (Gloor et ...

83

... probability distribution of the different power sources. In this context our contribution to the project is to estimate the **energy** production of a fixed structure OWC device with a Wells turbine for a given sea ...

54

... renewable energy generation would have been obtained at zero cost for consumers, as the costs associated to FITs are exactly counteracted by savings in the wholesale market.. Hence, by[r] ...

10