Results 91 to 100 of about 993,710 (249)

N-((1H-Pyrrol-2-yl)methylene)-6-methoxypyridin-3-amine and Its Co(II) and Cu(II) Complexes as Antimicrobial Agents: Chemical Preparation, In Vitro Antimicrobial Evaluation, In Silico Analysis and Computational and Theoretical Chemistry Investigations. [PDF]

open access: yesMolecules, 2022
Mariwamy VH   +15 more
europepmc   +1 more source

Multidisciplinary research in space sciences and engineering with emphasis on theoretical chemistry [PDF]

open access: yes
A broad program is reported of research in theoretical chemistry, particularly in molecular quantum and statistical mechanics, directed toward determination of the physical and chemical properties of materials, relation of these macroscopic properties to
Curtiss, C. F., Hirschfelder, J. O.
core   +1 more source

Circumstellar chemistry [PDF]

open access: yes
The study of the outer envelopes of cool evolved stars has become an active area of research. The physical properties of CS envelopes are presented. Observations of many wavelengths bands are relevant.
Glassgold, Alfred E.   +1 more
core   +1 more source

Silicon-based molecular electronics

open access: yes, 2003
Molecular electronics on silicon has distinct advantages over its metallic counterpart. We describe a theoretical formalism for transport through semiconductor-molecule heterostructures, combining a semi-empirical treatment of the bulk silicon ...
Berkowitz H. L.   +24 more
core   +1 more source

The physics and chemistry of dusty plasmas: A laboratory and theoretical investigation [PDF]

open access: yes
Theoretical work on dusty plasmas was conducted in three areas: collective effects in a dusty plasma, the role of dusty plasmas in cometary atmospheres, and the role of dusty plasmas in planetary atmospheres (particularly in the ring systems of the giant
Whipple, E. C.
core   +1 more source

Chemical Bonding and Dynamic Structural Fluxionality of a Boron-Based B8Al3+ Cluster

open access: yesMolecules
We studied the boron-based composite cluster B8Al3+ doped with Al atoms. The global minimum structure of the B8Al3+ cluster is a three-layer structure, consisting of three parts: an Al2 unit, a B8 ring and an isolated Al atom.
Shu-Juan Gao, Tan-Lai Yu
doaj   +1 more source

Detailed quantum mechanical, molecular docking, QSAR prediction, photovoltaic light harvesting efficiency analysis of benzil and its halogenated analogues

open access: yesHeliyon, 2019
The structural, spectroscopic various physico-chemical and biological characteristics of the organic molecule benzil (BZL) and derivatives, 1,2-bis(4-methylphneyl)-1,2-ethanedione (DMB), 4,4′-difluorobenzil (DFB), 4,4′-dichlorobenzil (DCB) and 4,4 ...
Y. Shyma Mary   +5 more
doaj   +1 more source

Home - About - Disclaimer - Privacy