Thioflavin T as a molecular rotor: fluorescent properties of thioflavin T in solvents with different viscosity

VI Stsiapura, AA Maskevich, VA Kuzmitsky… - The Journal of …, 2008 - ACS Publications
The effect of solvent viscosity on thioflavin T (ThT) fluorescent properties is analyzed to
understand the molecular mechanisms of the characteristic increase in ThT fluorescence …

An accurate and transferable intermolecular diatomic hydrogen potential for condensed phase simulation

JL Belof, AC Stern, B Space - Journal of Chemical Theory and …, 2008 - ACS Publications
An anisotropic many-body H2 potential energy function has been developed for use in
heterogeneous systems. The intermolecular potential has been derived from first principles …

Quantum chemical modelling in the research of molecular mechanisms of enzymatic catalysis

AV Nemukhin, BL Grigorenko… - Russian Chemical …, 2012 - iopscience.iop.org
The advantages and disadvantages of various methods of theoretical modelling of
mechanisms of enzymatic reactions based on quantum theory are discussed. Molecular …

Stereocontrolled Syntheses of (−)-Cubebol and (−)-10-Epicubebol Involving Intramolecular Cyclopropanation of α-Lithiated Epoxides

DM Hodgson, S Salik, DJ Fox - The Journal of Organic Chemistry, 2010 - ACS Publications
Formylation of (−)-menthone (11) with LDA and HCO2CH2CF3 avoids loss of
configurational integrity at the isopropyl group, giving hydroxymethylenementhone 12 …

Study of the surface reactions in ALD hafnium aluminates

L Nyns, A Delabie, G Pourtois… - Journal of The …, 2009 - iopscience.iop.org
Hafnium aluminates have been investigated as high-κ dielectrics for implementation in sub-
45 nm nonvolatile memory technologies. The growth behavior and quality of these …

Growth and material characterization of hafnium titanates deposited by atomic layer deposition

M Popovici, A Delabie, S Van Elshocht… - Journal of The …, 2009 - iopscience.iop.org
Hafnium titanate (HTO) films were deposited within a large Hf–Ti compositional range by
atomic layer deposition using precursors. The Hf content of the layers is well controlled by …

Atomic layer deposition of hafnium silicate gate dielectric layers

A Delabie, G Pourtois, M Caymax… - Journal of Vacuum …, 2007 - pubs.aip.org
Downscaling equivalent oxide thickness (EOT) by decreasing the physical thickness or
increasing the permittivity of the gate dielectric is required to reach the complementary metal …

[HTML][HTML] Компьютерное моделирование механизмов ферментативных реакций: уроки 20-летней практики

МГ Хренова, АМ Кулакова, ТИ Мулашкина… - … . Серия 2. Химия, 2024 - cyberleninka.ru
Комбинированный метод квантовой механики/молекулярной механики наиболее часто
применяется для описания молекулярных механизмов ферментативных реакций. В …

Computer Modeling of the Mechanisms of Enzymatic Reactions: Lessons from 20 Years of Practice

MG Khrenova, TI Mulashkina, AM Kulakova… - Moscow University …, 2024 - Springer
The combined quantum mechanics/molecular mechanics method is most often used to
describe the molecular mechanisms of enzymatic reactions. The review discusses the main …

Experimental and calculated terahertz spectra of naphthalene and 1, 4-dihydroxynaphthalene in the 0.5-6 terahertz region

CJS Ponseca, E Estacio, H Murakami… - Journal of Physics …, 2008 - iopscience.iop.org
Far infrared (IR) spectra of naphthalene and 1, 4-dihydroxynaphthalene (1, 4-naphthol) were
measured in the region from 0.5 to 6.3 THz at room temperature using a GaP THz wave …