The Coupling of Vibrational and Electronic Motions in Degenerate and Nondegenerate Electronic States of Inorganic and Organic Molecules: Part III. Nondegenerate Electronic States

2007 ◽  
pp. 385-430 ◽  
Author(s):  
Andrew D. Liehr
1976 ◽  
Vol 98 (5) ◽  
pp. 1212-1218 ◽  
Author(s):  
Kenneth B. Wiberg ◽  
G. Barney Ellison ◽  
John J. Wendoloski

1976 ◽  
Vol 98 (23) ◽  
pp. 7179-7182 ◽  
Author(s):  
Kenneth B. Wiberg ◽  
G. Barney Ellison ◽  
John J. Wendoloski ◽  
C. R. Brundle ◽  
N. A. Kuebler

2018 ◽  
Vol 212 ◽  
pp. 191-215 ◽  
Author(s):  
K. Eryn Spinlove ◽  
Gareth W. Richings ◽  
Michael A. Robb ◽  
Graham A. Worth

Fully quantum direct dynamics simulations generate the potential surface manifold for the photo-excited dynamics of small organic molecules.


1976 ◽  
Vol 98 (18) ◽  
pp. 5465-5469 ◽  
Author(s):  
Kenneth B. Wiberg ◽  
John J. Wendoloski

2021 ◽  
Author(s):  
Juris Burlakovs ◽  
◽  
Ruta Ozola-Davidane ◽  
Maris Klavins

The study reveals the development of appropriate innovative sorbents based on clay material for arsenic and p-nitrophenol sorption using iron oxy-hydroxide and surfactant modification. Natural and manufactured clay were chosen for comparison of modification efficiency to obtain the best sorption results for As (V) and p-nitrophenol. Obtained results indicate that modification of clay with iron compounds and various surfactants significantly improve the sorption capacity of newly developed materials used for sorption of inorganic and organic compounds from aqueous solutions in landfill leachates.Natural clay minerals have received a lot of attention as potential sorbents, because of their abundance, cost-effectiveness, high sorption and ion-exchange properties [1]. Clay minerals can be modified using different approaches to obtain innovative materials for application as sorbents in the removal of inorganic and organic pollutants from leachates, wastewater, groundwater and soil [2, 3]. Modification with surfactants improves hydrophobization needed if interaction with low polarity organic molecules is necessary, but chemical modification with inorganic species, e.g., hydrated iron supports the physical improvement of sorption and ion exchange process in order to benefit the treatment of media from inorganic pollutants [4]. Materials achieved better properties for specific remedial applications regarding heavy metals and metalloids, prepared organoclays from hydrophilic montmorillonite by intercalating cationic or nonionic surfactants can interact with organic molecules of differing polarity and serve as immobilizers for organic molecules and toxicants, e.g., phenols and NOCs. Further studies will reveal improved properties to benefit landfill leachate treatment, wastewater engineering and environmental remediation industries.


2016 ◽  
Vol 45 (28) ◽  
pp. 11471-11495 ◽  
Author(s):  
Yan-Xia Zhao ◽  
Qing-Yu Liu ◽  
Mei-Qi Zhang ◽  
Sheng-Gui He

Progress on the activation and transformation of important inorganic and organic molecules by negatively charged bare metal clusters as well as ligated systems with oxygen, carbon, and nitrogen, among others.


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