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Theoretical studies on the pKa values of perfluoroalkyl carboxylic acids
Computational studies were conducted using the major levels of semiempirical, ab initio, density functional theory (DFT), and the CBS-Q//B3 method and various solvation models on a homologous serie…
Received 05 February 2010 17:22 UTC; Posted 05 February 2010
Posted to: Chemistry, Earth & Environment
Metastable Nanosized Diamond Formation from Fluid Systems
The model of nanosized diamond particles formation at metastable P-T parameters from fluid is presented. It explains the specific of CVD diamond synthesis gases mixtures and hydrothermal growth of …
Received 02 February 2010 12:10 UTC; Posted 04 February 2010
Posted to: Chemistry, Earth & Environment
Exploitation, secondary extinction and the altered trophic structure of Jamaican coral reefs
Coral reef communities of the Greater Antilles in the Caribbean have a long history of anthropogenic disturbance, driven by the exploitation for food of both vertebrate and invertebrate species. Ex…
Received 27 January 2010 21:49 UTC; Posted 01 February 2010
Posted to: Ecology, Earth & Environment
Artificial Photosynthesis Would Unify the Electricity-Carbohydrate-Hydrogen Cycle for Sustainability
Sustainable development requires balanced integration of four basic human needs – air (O2/CO2), water, food, and energy. To solve key challenges, such as CO2 fixation, electricity storage, food p…
Received 20 January 2010 18:49 UTC; Posted 20 January 2010
Posted to: Biotechnology, Chemistry, Ecology, Earth & Environment
Modeling the hydrolysis of the polymeric brominated flame retardants BC-58 and FR-1025
The SPARC software program was used to estimate the acid-catalyzed, neutral, and base-catalyzed hydrolysis rate constants for the polymeric brominated flame retardants BC-58 and FR-1025, as well as…
Received 17 January 2010 04:22 UTC; Posted 19 January 2010
Posted to: Chemistry, Earth & Environment
Mitigation of GHGs Emission From Soils by a Catalyzed In-Situ Photo-Oxidative Polymerization of Soil Organic Matter
Agricultural lands under food and bio-energy crops, managed grass and permanent crops including agro-forestry, occupy about 40-50% of the Earth’s land surface1. In 2005, agriculture accounted for…
Received 05 January 2010 12:50 UTC; Posted 07 January 2010
Posted to: Ecology, Earth & Environment
Theoretical studies on the pKa values of perfluoroalkyl carboxylic acids: Non-helical conformation acidity constants for n-perfluorooctanoic acid (n-PFOA)
A molecular mechanics force field method (MMFF94) systematic rotor conformational search was conducted on the well known environmental contaminant n-perfluorooctanoic acid (n-PFOA). The MMFF94 con…
Received 28 December 2009 20:43 UTC; Posted 29 December 2009
Posted to: Chemistry, Earth & Environment
Challenges in modeling disturbances’ effects on terrestrial carbon cycling
Ecosystem disturbance presents modelers with a number of problems, of which the disturbance event itself may be the least problematic. First, most ecosystem models depend on reaching a steady state…
Received 18 December 2009 22:18 UTC; Posted 23 December 2009
Posted to: Earth & Environment
Can we detect changes in high-latitude soil respiration over decadal time scales?
Soil respiration (RS), the soil surface CO2 flux, is the second-largest terrestrial carbon flux, but because of its high variability and the inaccessibility of the soil medium it remains one of t…
Received 18 December 2009 15:19 UTC; Posted 18 December 2009
Posted to: Earth & Environment
Origin of nanosized diamonds in interstellar space and low-pressure-temperature Earth rocks
Nanosized diamond particles in the interstellar space and in the Earth rocks related with water presence. In the paper proposed the model of the nanosized diamond particle formation from oxidized w…
Received 18 December 2009 11:02 UTC; Posted 18 December 2009
Posted to: Chemistry, Earth & Environment
