English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Tools annual

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools monthly

Global: Zendy Plus monthly

Presents the access of premium content as premium feature

Premium Content

Global: Zendy Plus annual

Global: Zendy Free Plan

The problem of finding of analytical gradients (derivatives over atomscoordinates) of solvation energies can be decomposed on two subtasks: at thefirst stage we search for parameters of the superficial devices (threecoordinates, three components of normal vector and square) and theirderivatives; at the second stage we differentiate energy and we express itthrough derivative of the matrixes featuring a problem. But these derivativesof matrix elements can be expressed through derivatives of parameters ofsurface meshes of SES (solvent excluded surface) or SAS (solvent accessiblesurface). The purpose of the given paper is finding of these analyticalgradients of the parameters of the surface meshes.

Continual Model of Medium III: Calculation of analytical gradients of parameters of surface meshes on the molecular surfaces over atomic coordinates