화학공학소재연구정보센터
검색결과 : 71건
No. Article
1 Chalcogen versus Dative Bonding in [SF3](+) Lewis Acid-Base Adducts: [SF3(NCCH3)(2)](+), [SF3(NC5H5)(2)](+), and [SF3(phen)](+) (phen=1,10-phenanthroline)
Turnbull D, Chaudhary P, Hazendonk P, Wetmore SD, Gerken M
Inorganic Chemistry, 60(6), 3893, 2021
2 Reactions of Molybdenum and Tungsten Oxide Tetrafluoride with Sulfur(IV) Lewis Bases: Structure and Bonding in [WOF4](4), MOF4(OSO), and [SF3][M2O2F9] (M = Mo, W)
Turnbull D, Chaudhary P, Leenstra D, Hazendonk P, Wetmore SD, Gerken M
Inorganic Chemistry, 59(23), 17544, 2020
3 DFT Study on the Deglycosylation of Methylated, Oxidized, and Canonical Pyrimidine Nucleosides in Water: Implications for Epigenetic Regulation and DNA Repair
Jeong YER, Lenz SAP, Wetmore SD
Journal of Physical Chemistry B, 124(12), 2392, 2020
4 Synthesis, Characterization, and Lewis Acid Behavior of [W(NC6F5)F-4](x)and Computational Study of W(NR)F-4 (R = H, F, CH3 , CF3, C6H (5), C-6 F-5), W(NC6F5)F-4(NCCH3), and W(NC6F5)F-4(NC5H5)(n)(n=1, 2)
Turnbull D, Wetmore SD, Gerken M
Inorganic Chemistry, 58(9), 6363, 2019
5 DFT and MD Studies of Formaldehyde-Derived DNA Adducts: Molecular-Level Insights into the Differential Mispairing Potentials of the Adenine, Cytosine, and Guanine Lesions
Wilson KA, Garden JL, Wetmore NT, Felske LR, Wetmore SD
Journal of Physical Chemistry A, 123(29), 6229, 2019
6 Molecular Dynamics Study of One-Base Deletion Duplexes Containing the Major DNA Adduct Formed by Ochratoxin A: Effects of Sequence Context and Adduct Ionization State on Lesion Site Structure and Mutagenicity
Kathuria P, Singh P, Sharma P, Manderyille RA, Wetmore SD
Journal of Physical Chemistry B, 123(32), 6980, 2019
7 Unveiling a Single-Metal-Mediated Phosphodiester Bond Cleavage Mechanism for Nucleic Acids: A Multiscale Computational Investigation of a Human DNA Repair Enzyme
Aboelnga MM, Wetmore SD
Journal of the American Chemical Society, 141(21), 8646, 2019
8 Quantum Chemical Studies of the Structure and Stability of N-Methylated DNA Nucleobase Dimers: Insights into the Mutagenic Base Pairing of Damaged DNA
Felske LR, Lenz SAP, Wetmore SD
Journal of Physical Chemistry A, 122(1), 410, 2018
9 Syntheses and Characterization of W(NC6F5)F-5(-) and W-2(NC6F5)(2)F-9(-) Salts and Computational Studies of the W(NR)F-5(-) (R = H, F, CH3, CF3, C6H5, C6F5) and W-2(NC6F5)(2)F-9(-) Anions
Turnbull D, Wetmore SD, Gerken M
Inorganic Chemistry, 56(20), 12581, 2017
10 QM/MM Study of the Reaction Catalyzed by Alkyladenine DNA Glycosylase: Examination of the Substrate Specificity of a DNA Repair Enzyme
Lenz SAP, Wetmore SD
Journal of Physical Chemistry B, 121(49), 11096, 2017