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De novo mutations across 1,465 diverse genomes reveal mutational insights and reductions in the Amish founder population.
Proc Natl Acad Sci U S A. 2020 Feb 4;117(5):2560-2569. doi: 10.1073/pnas.1902766117. Epub 2020 Jan 21.
Proc Natl Acad Sci U S A. 2020.
PMID: 31964835
Free PMC article.
Theoretical Study of Silicon Monoxide Reactions with Ammonia and Methane.
Nguyen HT, Hang TD, Nguyen MT.
Nguyen HT, et al.
J Phys Chem A. 2017 Feb 9;121(5):1032-1040. doi: 10.1021/acs.jpca.6b11665. Epub 2017 Jan 27.
J Phys Chem A. 2017.
PMID: 28084737
Energetic data used in the construction of potential energy surfaces describing the SiO + NH(3)/CH(4) reactions were obtained at the coupled-cluster theory with extrapolation to the complete basis set limit (CCSD(T)/CBS) using DFT/B3LYP/aug-cc-pVTZ optimized geometries. St …
Energetic data used in the construction of potential energy surfaces describing the SiO + NH(3)/CH(4) reactions were obtained at the coupled …
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Mechanistic Study on Water Splitting Reactions by Small Silicon Clusters Si3X, X = Si, Be, Mg, Ca.
Hang TD, Nguyen MT.
Hang TD, et al.
J Phys Chem A. 2018 Jun 14;122(23):5132-5141. doi: 10.1021/acs.jpca.8b02237. Epub 2018 May 30.
J Phys Chem A. 2018.
PMID: 29775306
While geometries were optimized using the DFT/B3LYP functional with the aug-cc-pVTZ basis set, reaction energy profiles were constructed making use of the coupled-cluster theory with extrapolation to complete basis set, CCSD(T)/CBS. Cleavage of the O-H bond in water dimer …
While geometries were optimized using the DFT/B3LYP functional with the aug-cc-pVTZ basis set, reaction energy profiles were constructed mak …
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Structures, Thermochemical Properties, and Bonding of Mixed Alkaline-Earth-Metal Silicon Trimers Si3M(+/0/-) with M = Be, Mg, Ca.
Hang TD, Hung HM, Nguyen HT, Nguyen MT.
Hang TD, et al.
J Phys Chem A. 2015 Jun 18;119(24):6493-503. doi: 10.1021/acs.jpca.5b02492. Epub 2015 Jun 10.
J Phys Chem A. 2015.
PMID: 25993402
Along with total atomization energies, thermochemical parameters were determined for the first time by means of the G4 and coupled-cluster theory with complete basis set CCSD(T)/CBS approaches. The most favored equilibrium formation sequences for Si3M clusters emerge as fo …
Along with total atomization energies, thermochemical parameters were determined for the first time by means of the G4 and coupled-cluster t …
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