Encyclopedia

counterpoise method

counterpoise method

[′kau̇n·tər‚pȯiz ‚meth·əd]
(mechanics)
substitution weighing
McGraw-Hill Dictionary of Scientific & Technical Terms, 6E, Copyright © 2003 by The McGraw-Hill Companies, Inc.
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References in periodicals archive
Therefore, counterpoise method (CP) can be applied, which can estimate the BSSE size.
On the Interactions of Fused Pyrazole Derivative with Selected Amino Acids: DFT Calculations
The basis set superposition error (BSSE) correction was evaluated using the counterpoise method [30].
The estimation of the basis set superposition error (BSSE) for all the structures presented here was performed by the full counterpoise method at the B3LYP/6-311G (d,p) level.
A theoretical investigation of furan-Al[X.sub.3], pyrrole-Al[X.sub.3] and thiophene-Al[X.sub.3] (X = H, F, Cl, Br) interactions
Application of the BSSE correction by the counterpoise method overcorrected the error and gave systematically too low complexation energies.
Comparative calculations of complexation enthalpies between Lewis bases and borontrifluoride/Komplekseerumisentalpiad Lewisi aluste ja [BF.sub.3] vahel: monede arvutuskeemia meetodite vordlus
We applied the counterpoise method [31, 32] to calculate the basis set superposition error using the equation:
The Adhesion Mechanism of Marine Mussel Foot Protein: Adsorption of L-Dopa on [alpha]- and [beta]-Cristobalite Silica Using Density Functional Theory
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