Topological (e.g., function of atom connectivity) 4. Electrostatic (e.g., partial charges) 5. Quantum chemistry derived (e.g., molecular orbital energies) From this list, one can appreciate the importance of optimizing the geometry of the molecule prior to evaluate the molecular descriptor va...
Ineffectiveness of the chemicals applied so far for waterlogged wood conservation created the need to develop new more, efficient and reliable agents. As an alternative, a new method with the use of organosilicon compounds differing in chemical composition and molecular weight has been investigated. Th...
of motion refraction of light maxwell's equation electrostatics bernoulli's principle projectile motion electric charge physics symbols more chemistry periodic table stereochemistry organic compounds inorganic chemistry quantum numbers atomic mass of elements periodic properties of elements 118 elements and their...
Infrared and Raman experimental spectra for comparison are from Spectral Database for Organic Compounds35 (SDBS) at https://sdbs.db.aist.go.jp. The experimental Raman spectrum of caffeine comes from rruff database36 at https://rruff.info/Ca/D120006. Source data are provided with this paper....
inclusion compoundsChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a "Full Text" option. The original article is ...
complex samples in a single injection, which significantly increases peak capacity and separation flux. For example, Wang et al. used stop-flow HILIC × RPLC to identify 372 lipids from 13 different classes of compounds in positive mode (Wang et al.2013b). Zhou et al. developed a HILIC ...
By accepting optional cookies, you consent to the processing of your personal data - including transfers to third parties. Some third parties are outside of the European Economic Area, with varying standards of data protection. See our privacy policy for more information on the use of your perso...
molecules that thwart the ability of the virus to interact with the ACE2 receptor. Because the SARS-CoV-2 virus evolves rapidly due to a plethora of immunocompromised hosts, the compounds were tested against five different known lineages. As a result, we could identify substances that work well...
Complex network theory based methods and the emergence of “Big Data” have reshaped the terrain of investigating structure-activity relationships of molecules. This change gave rise to new methods which need to face an important challenge, namely: how t
The largest outbreak of yellow fever of the 21st century in the Americas began in 2016, with intense circulation in the southeastern states of Brazil, particularly in sylvatic environments near densely populated areas including the metropolitan region of São Paulo city (MRSP) during 2017–2018. ...