323,916 research outputs found
Determination of Electrical Parameters for Skin during Galvanic Skin Reflex from Continuous Measurement
Skin impedance satisfies the Cole-Cole arc's law. The change of skin impedance during GSR (Galvanic Skin Reflex) can be expressed by the change of equivalent parallel resistance approximately. Using these characteristics, the complicated change of skin impedance during GSR can be determined continuously from the measurement value in one frequency point
Measurement of Emotional Response by Similarity in Patterns of Galvanic Skin Reflex
There is no doubt that many people feel the peace of mind or the pleasures of senses in appreciating music. But the estimation of the effect is very difficult and the objective estimation can be hardly done. This study proposed the objective estimating method of human emotion utilizing galvanic skin reflex (GSR) which reflects a human psychological activity. In this method, not by individual response, but by the series of response and pattern of appearance of GSR, the emotional response under appreciating music was investigated. In the case of appreciation of the same classic music to several subjects, the individual GSR responses are random and remarkable characteristic could not be find on the results. However, on the patterns of appearance of GSR, the patterns obtaining from the same generation are much similar each other and the patterns obtaining from different generation are less similar. It was cleared that the same music gave different effect on different generations
Variational and perturbative formulations of QM/MM free energy with mean-field embedding and its analytical gradients
Conventional quantum chemical solvation theories are based on the mean-field
embedding approximation. That is, the electronic wavefunction is calculated in
the presence of the mean field of the environment. In this paper a direct
quantum mechanical/molecular mechanical (QM/MM) analog of such a mean-field
theory is formulated based on variational and perturbative frameworks. In the
variational framework, an appropriate QM/MM free energy functional is defined
and is minimized in terms of the trial wavefunction that best approximates the
true QM wavefunction in a statistically averaged sense. Analytical free energy
gradient is obtained, which takes the form of the gradient of effective QM
energy calculated in the averaged MM potential. In the perturbative framework,
the above variational procedure is shown to be equivalent with the first-order
expansion of the QM energy (in the exact free energy expression) about the
self-consistent reference field. This helps understand the relation between the
variational procedure and the exact QM/MM free energy as well as existing QM/MM
theories. Based on this, several ways are discussed for evaluating
non-mean-field effects (i.e., statistical fluctuations of the QM wavefunction)
that are neglected in the mean-field calculation. As an illustration, the
method is applied to an SN2 Menshutkin reaction in water, NH3 + CH3CL ->
NH3CH3^{+} + CL^{-}, for which free energy profiles are obtained at the HF,
MP2, B3LYP, and BH&HLYP levels by integrating the free energy gradient.
Non-mean-field effects are evaluated to be < 0.5 kcal/mol using a Gaussian
fluctuation model for the environment, which suggests that those effects are
rather small for the present reaction in water.Comment: 17 pages, 8 figures. J.Chem.Phys. 129, 244104 (2008
- …
