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Angewandte Chemie International Edition, ISSN 1433-7851, 07/2019, Volume 58, Issue 31, pp. 10591 - 10595
Journal Article
Science, ISSN 0036-8075, 9/2011, Volume 333, Issue 6051, pp. 1875 - 1878
Journal Article
Molecules, ISSN 1420-3049, 01/2019, Volume 24, Issue 1, p. 150
Thermal stabilities of DNA duplexes containing Gua ( ), α- ( ) or β-anomer of formamidopyrimidine-N7-9-hydroxy-aflatoxin B₁ ( ) differ markedly (T : a < g < b... 
Linear response approximation | aflatoxin B1 | Aflatoxin B | Molecular structure | Linear interaction energy | DNA | Formamidopyrimidine | Molecular dynamics simulation | Adduct | Free energy | Thermal stability | molecular structure | adduct | free energy | molecular dynamics simulation | thermal stability | formamidopyrimidine | linear response approximation | linear interaction energy
Journal Article
Colloids and Surfaces A: Physicochemical and Engineering Aspects, ISSN 0927-7757, 09/2015, Volume 481, pp. 319 - 327
[Display omitted] •Adsorption behaviors of seven metals onto multi-layered graphene oxide was measured.•Surface complexation modeling was used to account for... 
Linear free energy relationship | Graphene oxide | Metal adsorption | Surface complexation modeling | HEAVY-METALS | SORPTION | TRACE-METALS | CHEMISTRY, PHYSICAL | NANOSHEETS | STABILITY-CONSTANTS | CARBON NANOTUBES | REMOVAL | EU(III) | BACTERIAL SURFACES | NATURAL ORGANIC-MATTER | Models | Adsorption | Graphene | Graphite | Analysis
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 07/2016, Volume 138, Issue 26, pp. 8045 - 8047
Linear free energy relationship (LFER) parameters are routinely used to parametrize physicochemical effects while investigating reaction mechanisms. In this... 
N-SUBSTITUENT SIZES | SECONDARY ALCOHOLS | STERIC PARAMETERS | CONSTANTS | QUANTIFICATION | PERFORMANCE | SCALES | COUPLED CIRCULAR-DICHROISM | QUANTITATIVE CORRELATION | CHEMISTRY, MULTIDISCIPLINARY | ENANTIOSELECTIVITIES | Analysis | Linear free energy relationship | Chemical reactions | Research | Chemical properties | Alcohols | Circular dichroism
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 01/2002, Volume 106, Issue 1, pp. 203 - 208
We present a novel method, canonical adiabatic free energy sampling (CAFES) that allows for the efficient exploration of the free energy surface of a subsystem... 
CHEMISTRY, PHYSICAL | MOLECULAR-DYNAMICS SIMULATION | HYPERDYNAMICS | Reactivity (Chemistry) | Linear free energy relationship | Molecular dynamics | Chemical reactions | Models | Analysis
Journal Article
The Journal of Organic Chemistry, ISSN 0022-3263, 03/2014, Volume 79, Issue 6, pp. 2384 - 2396
The substituent effect of different p-substituted triphenyl­silyl chlorides on silylation-based kinetic resolutions was explored. Electron-donating groups slow... 
SILICON-STEREOGENIC SILANES | SECONDARY ALCOHOLS | ACID | ACYL-TRANSFER CATALYST | ENANTIOSELECTIVE REACTION | ESTERIFICATION | CHEMISTRY, ORGANIC | SUBSTITUENT CONSTANTS | PIVALIC ANHYDRIDE | DONOR-FUNCTIONALIZED ALCOHOLS | PARAMETERS | Linear free energy relationship | Research | Chemical reaction, Rate of | Analysis | Electron donor-acceptor complexes
Journal Article
BBA - General Subjects, ISSN 0304-4165, 05/2015, Volume 1850, Issue 5, pp. 954 - 965
Journal Article