Results 161 to 170 of about 3,098 (189)
Some of the next articles are maybe not open access.

Related searches:

Modeling of the informational field of molecules

Journal of Molecular Modeling, 2001
The possibility of model operation of an informational field of an entity (molecule), which can be represented as a discrete parameter system of elements (atoms), is shown. The idea of the approach is based on the application of the Shannon's method (quantitative estimation of the information) not only to the molecular structure, but also to the ...
Victor E. Kuz'min   +2 more
openaire   +3 more sources

New Structural Descriptors of Molecules on the Basis of Symbiosis of the Informational Field Model and Simplex Representation of Molecular Structure

QSAR & Combinatorial Science, 2009
AbstractIn this article the calculation scheme of new molecular descriptors on the basis of symbiosis of the informational field model and simplex representation of molecular structure (so‐called, simplex‐informational descriptors) is introduced. The following advantages of the proposed descriptors are demonstrated: i) high‐sensitivity to molecular ...
Lyudmila N. Ognichenko   +2 more
openaire   +3 more sources

Field programmable chemistry: Integrated chemical and electronic processing of informational molecules towards electronic chemical cells

Biosystems, 2012
The topic addressed is that of combining self-constructing chemical systems with electronic computation to form unconventional embedded computation systems performing complex nano-scale chemical tasks autonomously. The hybrid route to complex programmable chemistry, and ultimately to artificial cells based on novel chemistry, requires a solution of the
Patrick Wagler   +3 more
openaire   +4 more sources

Shannon information entropies of molecules and functional groups in the self-consistent reaction field

The Journal of Chemical Physics, 2000
The Shannon information entropies in position and momentum space of H2O, HCN, HOOH, NH3, CH2O2, CH3NH2, CH3OH, CH3CHO, CH3OCH3, CH3COCH3, NH2OH, NH2COH, and CH3NHCOH at the RHF/6-3111G** level in vacuo and in the Onsager aqueous field, were calculated and correlated with various properties.
M Hô   +7 more
openaire   +3 more sources

A density functional theory and information-theoretic approach study of chiral molecules in external electric fields

Chemical Physics Letters, 2020
Abstract The effect of external electric fields and chirality are two important chemical concepts. In this work, we combine the two and consider behaviors of chiral molecules in external electric fields. A total of 74 pairs of enantiomers with one chiral center have been examined.
Jie Chen   +4 more
openaire   +1 more source

Field-Mediated Chirality Information Transfer in Molecule–Nanoparticle Hybrids

The Journal of Physical Chemistry C, 2019
Chirality is a defining property of optically active molecules, i.e., those capable of having an asymmetric Raman response to circularly polarized light or rotating the plane defined by the two vec...
Aitzol García-Etxarri   +3 more
openaire   +1 more source

Orientation of molecules by magnetic field as a new source of information on their structures

Russian Chemical Bulletin, 2006
A complex procedure for quantitative allowance for small but significant effects of molecular orientation by strong static magnetic fields was elaborated. A series of high-resolution 1H NMR spectra of 1,2,3-trichloronaphthalene recorded at magnetic field strength varied over a wide range was analyzed in the framework of a unified approach with high ...
A. K. Shestakova   +4 more
openaire   +1 more source

Corrigendum to: “Field programmable chemistry: Integrated chemical and electronic processing of informational molecules towards electronic chemical cells” [Biosystems, (2012) 109: 2–17]

Biosystems, 2015
The final second part of the acknowledgement section for the above said article was: We wish to acknowledge financial support from the Europen Commission FP7 Program in ISTFET (projects ECCell, #222422, and MATCHIT, #249032), and networking support from the COST network in Systems Chemistry (CM0703), from the Interfacial Systems Chemistry Initiative ...
Patrick F. Wagler   +3 more
openaire   +1 more source

Editorial: The Effect of the T-Consciousness Field on Water Molecules in the Transmission of Information Originating from the Field

The Scientific Journal of Cosmointel
Water is a highly significant chemical molecule that not only covers a substantial portion of the atmosphere and Earth’s crust but has also played a special role in the emergence of life. In previous research, numerous studies explored the physicochemical properties of water in both its pure state and as normal saline, examining how different T ...
openaire   +1 more source

Home - About - Disclaimer - Privacy