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Multilevel and Density Functional Electronic Structure Calculations of Proton Affinities and Gas-Phase Basicities Involved in Biological Phosphoryl Transfer†

机译：生物磷酸转移中涉及的质子亲和力和气相碱度的多级和密度泛函电子结构计算†

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Kevin Range; Carlos Silva Lpez; Adam Moser; Darrin M. York; Carlos Silva López;
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年度 2015
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1. Multilevel and Density Functional Electronic Structure Calculations of Proton Affinities and Gas-Phase Basicities Involved in Biological Phosphoryl Transfer [J] . Kevin Range, Carlos Silva Lopez, Adam Moser, The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2006,第2期

机译：生物磷酸基转移涉及的质子亲和力和气相碱度的多级和密度泛函电子结构计算
2. Multilevel and Density Functional Electronic Structure Calculations of Proton Affinities and Gas-Phase Basicities Involved in Biological Phosphoryl Transfer [J] . Kevin Range, Carlos Silva Lopez, Adam Moser, The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2006,第2期

机译：生物磷酸基转移涉及的质子亲和力和气相碱度的多级和密度泛函电子结构计算
3. Benchmark calculations of proton affinities and gas-phase basicities of molecules important in the study of biological phosphoryl transfer [J] . Range K, Riccardi D, Cui Q, Physical chemistry chemical physics: PCCP . 2005,第16期

机译：在生物磷酸基转移研究中重要的分子的质子亲和力和气相碱性的基准计算
4. Theoretical Investigation of the Proton Affinity and Gas-Phase Basicity of Neutral x,y-dihydroxybenzoic (DHB) acid and its Derivatives. [C] . Mario E Gomez, Nichollas Beller, Sajid Bashir, ASMS Conference on Mass Spectrometry and Allied Topics . 2006

机译：中性X，Y-二羟基苯甲酸酸及其衍生物质子亲和力和气相碱度的理论研究。
5. Density functional calculations of the electronic structure of aluminosilicate polymorphs (Al2SiO5) and mullite [D] . Aryal, Sita Ram 2008

机译：铝硅酸盐多晶型物电子结构的密度函数计算（Al2SiO5）和莫来石
6. Structures of Protonated Arginine Dimer and Bradykinin Investigated by Density Functional Theory: Further Support for Stable Gas-Phase Salt Bridges [O] . Eric F. Strittmatter, Evan R. Williams* -1

机译：密度泛函理论研究质子化的精氨酸二聚体和缓激肽的结构：稳定的气相盐桥的进一步支持。
7. Combining density functional theory (DFT) and collision cross-section (CCS) calculations to analyze the gas-phase behaviour of small molecules and their protonation site isomers [O] . Boschmans J, Jacobs S, Williams JP, 2016

机译：结合密度泛函理论（DFT）和碰撞截面（CCs）计算分析小分子及其质子化位点异构体的气相行为

Multilevel and Density Functional Electronic Structure Calculations of Proton Affinities and Gas-Phase Basicities Involved in Biological Phosphoryl Transfer†

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