scholarly article | Q13442814 |
P356 | DOI | 10.1039/C7CP01847A |
P698 | PubMed publication ID | 28508903 |
P2093 | author name string | Liang Gao | |
Yuxiang Bu | |||
P2860 | cites work | Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density | Q21708802 |
Density-functional exchange-energy approximation with correct asymptotic behavior | Q21709057 | ||
Canonical dynamics: Equilibrium phase-space distributions | Q21709091 | ||
Alteration of protein structure induced by low-energy (<18 eV) electrons. I. The peptide and disulfide bridges. | Q30330467 | ||
Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases. | Q33299919 | ||
Bond breaks of nucleotides by dissociative electron transfer of nonequilibrium prehydrated electrons: a new molecular mechanism for reductive DNA damage | Q33487396 | ||
Toward a general mechanism of electron capture dissociation | Q34391479 | ||
Backbone and side-chain cleavages in electron detachment dissociation (EDD). | Q34473437 | ||
Interactions of electrons with bare and hydrated biomolecules: from nucleic acid bases to DNA segments | Q38018385 | ||
A molecular dynamics study of the hydroxyl radical in solution applying self-interaction-corrected density functional methods. | Q38443295 | ||
Structure and Dynamics of Liquid Water from ab Initio Molecular Dynamics-Comparison of BLYP, PBE, and revPBE Density Functionals with and without van der Waals Corrections | Q40290761 | ||
Applications of Pulse Radiolysis to Protein Chemistry | Q41198331 | ||
The histidine effect. Electron transfer and capture cause different dissociations and rearrangements of histidine peptide cation-radicals | Q42948147 | ||
Histidine-containing radicals in the gas phase. | Q43596573 | ||
Quasidegeneracy of zwitterionic and canonical tautomers of arginine solvated by an excess electron | Q43784805 | ||
Characterization of amino acid side chain losses in electron capture dissociation. | Q43927451 | ||
Mechanism and energetics of intramolecular hydrogen transfer in amide and peptide radicals and cation-radicals | Q44358292 | ||
Formation of a histidine-peroxide adduct by H2O2 or ionizing radiation on histidine: chemical and microbiological properties | Q44369224 | ||
Alteration of protein constituents induced by low-energy (<35 eV) electrons: II. Dissociative electron attachment to amino acids containing cyclic groups | Q44484310 | ||
Density Functional Theory Studies of Electron Interaction with DNA: Can Zero eV Electrons Induce Strand Breaks? | Q44643175 | ||
Structure, dynamics, and reactivity of hydrated electrons by ab initio molecular dynamics | Q44896980 | ||
Hidden histidine radical rearrangements upon electron transfer to gas-phase peptide ions. Experimental evidence and theoretical analysis | Q46321687 | ||
On the effect of low-energy electron induced DNA strand break in aqueous solution: a theoretical study indicating guanine as a weak link in DNA. | Q46420787 | ||
Surface chemistry of ultrathin films of histidine on gold as probed by high-resolution synchrotron photoemission. | Q51156288 | ||
Semiempirical GGA-type density functional constructed with a long-range dispersion correction. | Q51629241 | ||
Excess electron reactivity in amino acid aqueous solution revealed by ab initio molecular dynamics simulation: anion-centered localization and anion-relayed electron transfer dissociation. | Q51709987 | ||
Excess electron in water at different thermodynamic conditions. | Q51905434 | ||
Electron attachment step in electron capture dissociation (ECD) and electron transfer dissociation (ETD). | Q51937955 | ||
Experimental and theoretical investigations of the loss of amino acid side chains in electron capture dissociation of model peptides. | Q53666164 | ||
An all‐electron numerical method for solving the local density functional for polyatomic molecules | Q56866705 | ||
From molecules to solids with the DMol3 approach | Q56866706 | ||
Excess Electron Interactions with Solvated DNA Nucleotides: Strand Breaks Possible at Room Temperature | Q57963607 | ||
Excess Electron Localization in Solvated DNA Bases | Q57963614 | ||
Histidine oxidation in the oxygen-evolving photosystem-II enzyme | Q59070620 | ||
Beyond radical thinking | Q59080502 | ||
P433 | issue | 21 | |
P407 | language of work or name | English | Q1860 |
P304 | page(s) | 13807-13818 | |
P577 | publication date | 2017-05-16 | |
P1433 | published in | Physical Chemistry Chemical Physics | Q3018671 |
P1476 | title | Protonation-modulated localization of excess electrons in histidine aqueous solutions revealed by ab initio molecular dynamics simulations: anion-centered versus cation-centered localization. | |
P478 | volume | 19 |
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