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De novo mutations across 1,465 diverse genomes reveal mutational insights and reductions in the Amish founder population.
Kessler MD, Loesch DP, Perry JA, Heard-Costa NL, Taliun D, Cade BE, Wang H, Daya M, Ziniti J, Datta S, Celedón JC, Soto-Quiros ME, Avila L, Weiss ST, Barnes K, Redline SS, Vasan RS, Johnson AD, Mathias RA, Hernandez R, Wilson JG, Nickerson DA, Abecasis G, Browning SR, Zöllner S, O'Connell JR, Mitchell BD; National Heart, Lung, and Blood Institute Trans-Omics for Precision Medicine (TOPMed) Consortium; TOPMed Population Genetics Working Group; O'Connor TD. Kessler MD, et al. 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 …
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 …
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 …