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1819 1
1821 4
1825 1
1827 3
1828 3
1829 3
1831 7
1832 1
1833 1
1834 2
1835 3
1836 5
1837 3
1838 5
1839 3
1840 2
1841 8
1842 16
1843 7
1844 8
1845 8
1846 16
1847 9
1848 10
1849 8
1850 16
1851 9
1852 14
1853 15
1854 11
1855 11
1856 9
1857 9
1858 8
1859 4
1860 9
1861 6
1862 7
1863 1
1864 3
1865 3
1866 5
1867 5
1868 7
1869 6
1870 8
1871 6
1872 2
1873 15
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1876 12
1877 17
1878 4
1879 7
1880 6
1881 9
1882 6
1883 16
1884 11
1885 15
1886 21
1887 7
1888 7
1889 5
1890 11
1891 5
1892 9
1893 16
1894 11
1895 20
1896 31
1897 57
1898 51
1899 37
1900 28
1901 23
1902 23
1903 10
1904 7
1905 17
1906 18
1907 21
1908 10
1909 25
1910 20
1911 25
1912 17
1913 19
1914 26
1915 25
1916 28
1917 28
1918 11
1919 27
1920 22
1921 19
1922 20
1923 40
1924 37
1925 44
1926 48
1927 60
1928 62
1929 54
1930 68
1931 68
1932 74
1933 69
1934 65
1935 77
1936 81
1937 78
1938 62
1939 59
1940 56
1941 56
1942 35
1943 25
1944 46
1945 249
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1949 681
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1951 788
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1953 1441
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1955 1893
1956 2278
1957 2319
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1968 9824
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1973 10215
1974 11999
1975 12794
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Theoretical study of H-atom abstraction reactions from CH(3)CH(2)OCH(2)CH(3), CHF(2)CF(2)OCH(2)CF(3) and CF(3)CH(2)OCH(3) by NO(3) radical & subsequent degradation.
Li MY, Bai FY, Pan XM. Li MY, et al. J Mol Graph Model. 2019 Dec;93:107453. doi: 10.1016/j.jmgm.2019.107453. Epub 2019 Sep 21. J Mol Graph Model. 2019. PMID: 31569010
The nocturnal reactions of CH(3)CH(2)OCH(2)CH(3), CHF(2)CF(2)OCH(2)CF(3) and CF(3)CH(2)OCH(3) initiated by NO(3) radicals are important sources of alkyl radicals and nitric acids. ...Organic nitrites can be isomerized into organic nitrates or degraded …
The nocturnal reactions of CH(3)CH(2)OCH(2)CH(3), CHF(2)CF(2)OCH(2)CF(3) and CF(3)CH(2)OCH(3) initiated by NO(3) …
Bismuth allyloxides.
Knispel C, Limberg C, Ziemer B. Knispel C, et al. Inorg Chem. 2010 May 3;49(9):4313-8. doi: 10.1021/ic100171f. Inorg Chem. 2010. PMID: 20384285
Bismuth allyloxides, [Bi(OR)(3)] with R = CH(2)CH=CH(2), CH(CH(3))CH=CH(2), C(CH(3))(2)CH=CH(2), and CH(2)CH=C(CH(3))(2), can be prepared by alcoholysis of [Bi(O(t)Bu)(3)] and, in some case …
Bismuth allyloxides, [Bi(OR)(3)] with R = CH(2)CH=CH(2), CH(CH(3))CH=CH(2), C(CH(3)) …
A computational characterization of boron-oxygen multiple bonding in HN=CH-CH=CH-NH-BO.
Larkin JD, Bhat KL, Markham GD, James TD, Brooks BR, Bock CW. Larkin JD, et al. J Phys Chem A. 2008 Sep 11;112(36):8446-54. doi: 10.1021/jp800125p. Epub 2008 Aug 15. J Phys Chem A. 2008. PMID: 18707068 Free PMC article.
Structures, relative energies, and bonding characteristics for various conformers of 3-imino-N-(oxoboryl)prop-1-en-1-amine, HN=CH-CH=CH-NH-BO, and the corresponding borocycle (-HN=CH-CH=CH-NH-B-)O are discussed using results from second-o …
Structures, relative energies, and bonding characteristics for various conformers of 3-imino-N-(oxoboryl)prop-1-en-1-amine, HN=CH- …
Ortho C-H Functionalization of 2-Arylimidazo[1,2-a]pyridines.
Ghosh S, Laru S, Hajra A. Ghosh S, et al. Chem Rec. 2022 Mar;22(3):e202100240. doi: 10.1002/tcr.202100240. Epub 2021 Nov 10. Chem Rec. 2022. PMID: 34757691 Review.
At the same time, imidazopyridine, a fused bicycle of imidazole moiety with pyridine ring, has a profound impact due to its ubiquitous and prodigious application in medicinal as well as material chemistry. The presence of N-1 atom in 2-arylImidazo[1,2-a]pyridine facilitate …
At the same time, imidazopyridine, a fused bicycle of imidazole moiety with pyridine ring, has a profound impact due to its ubiquitous and p …
Computational exploration of regioselectivity and atmospheric lifetime in NO(3)-initiated reactions of CH(3)OCH(3) and CH(3)OCH(2)CH(3).
Ye JT, Bai FY, Shi SQ, Pan XM. Ye JT, et al. J Mol Graph Model. 2017 Mar;72:156-167. doi: 10.1016/j.jmgm.2017.01.002. Epub 2017 Jan 6. J Mol Graph Model. 2017. PMID: 28092834
The NO(3)-initiated reactions of CH(3)OCH(3) and CH(3)OCH(2)CH(3) have been investigated by the BHandHLYP method in conjunction with the 6-311G(d,p) basis set. ...The branching ratios are also discussed. The atmospheric lifetimes of CH(3)OCH(3) and …
The NO(3)-initiated reactions of CH(3)OCH(3) and CH(3)OCH(2)CH(3) have been investigated by the BHandHLYP method in con …
CH...O and CH...N hydrogen bonds in ligand design: a novel quinazolin-4-ylthiazol-2-ylamine protein kinase inhibitor.
Pierce AC, ter Haar E, Binch HM, Kay DP, Patel SR, Li P. Pierce AC, et al. J Med Chem. 2005 Feb 24;48(4):1278-81. doi: 10.1021/jm0492249. J Med Chem. 2005. PMID: 15715498
Aryl CH hydrogen bonds play an important role in the binding of several analogues of a pyrazol-3-ylquinazolin-4-ylamine inhibitor of glycogen synthase kinase 3 (GSK3). Understanding the importance of these CH...O and CH...N hydrogen bonds allowed the design o …
Aryl CH hydrogen bonds play an important role in the binding of several analogues of a pyrazol-3-ylquinazolin-4-ylamine inhibitor of …
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