Results 61 to 70 of about 5,171,131 (233)
, 2011 In theoretical chemistry molecular structure descriptors are used for modeling physico-chemical, pharmacological, toxicologic, biological and other properties of chemical compounds.
Aleksandar Ilić +24 more
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Dust cloud evolution in sub-stellar atmospheres via plasma deposition and plasma sputtering [PDF]
, 2017 Context. In contemporary sub-stellar model atmospheres, dust growth occurs through neutral gas-phase surface chemistry. Recently, there has been a growing body of theoretical and observational evidence suggesting that ionisation processes can also occur.
Diver, D. A., Stark, C. R.
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Theoretical studies in interstellar cloud chemistry [PDF]
This final report represents the completion of the three tasks under the purchase order no. SCPDE5620,1,2F. Chemical composition of gravitationally contracting, but otherwise quiescent, interstellar clouds and of interstellar clouds traversed by high ...
Chiu, Y. T., Prasad, S. S.
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Interstellar water chemistry: from laboratory to observations
, 2013 Water is observed throughout the universe, from diffuse interstellar clouds to protoplanetary disks around young stars, and from comets in our own solar system and exoplanetary atmospheres to galaxies at high redshifts.
Herbst, Eric +2 more
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Theoretical chemistry--quo vadis?
Angewandte Chemie, 2011 Theoretical concepts permeate chemistry more thoroughly than we often think. Chemists are intuitively familiar with different types of chemical bonding; with the structure, spectroscopy, and dynamics of molecules; and with the variety of different ...
W. Thiel
semanticscholar +1 more source
Quantum chemical exercise linking computational chemistry to general chemistry topics
Chemistry Teacher International, 2020 Students in a second semester general chemistry course used quantum chemical calculations to investigate and reinforce general chemistry concepts. Students explored the isomers of hypochlorous acid, made predictions of miscibility via dipole moments ...
Simpson Scott +5 more
doaj +1 more source
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
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A Herschel/HIFI Legacy Survey of HF and H2O in the Galaxy: Probing Diffuse Molecular Cloud Chemistry
, 2015 We combine Herschel observations of a total of 12 sources to construct the most uniform survey of HF and H2O in our Galactic disk. Both molecules are detected in absorption along all sight lines.
Flagey, N. +7 more
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Applications of the Conceptual Density Functional Theory Indices to Organic Chemistry Reactivity
Molecules, 2016 Theoretical reactivity indices based on the conceptual Density Functional Theory (DFT) have become a powerful tool for the semiquantitative study of organic reactivity. A large number of reactivity indices have been proposed in the literature.
L. Domingo +2 more
semanticscholar +1 more source
The Impact of theoretical chemistry on biology [PDF]
, 2010 Els avenços en les bases dels mètodes teòrics i l'espectacular desenvolupament de la potència de càlcul han fet possible progressar enormement en el somni dels fundadors de la química, és a dir, ser capaços d'estudiar amb mètodes computacionals el ...
Luque, Francisco Javier, Orozco, Modesto
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