Results 71 to 80 of about 135,127 (291)
The radical character of the acenes: A density matrix renormalization group study [PDF]
, 2007 We present a detailed investigation of the acene series using high-level wavefunction theory. Our ab-initio Density Matrix Renormalization Group algorithm has enabled us to carry out Complete Active Space calculations on the acenes from napthalene to ...
Birks J. B. +12 more
core +2 more sources
FEBS Open Bio, EarlyView.Unique biological samples, such as site‐specific mutant proteins, are available only in limited quantities. Here, we present a polarization‐resolved transient infrared spectroscopy setup with referencing to improve signal‐to‐noise tailored towards tracing small signals. We provide an overview of characterizing the excitation conditions for polarization‐
Clark Zahn, Karsten Heyne
wiley +1 more source
FEBS Open Bio, EarlyView.Enzymes of the 2‐hydroxyacyl‐CoA lyase group catalyze the condensation of formyl‐CoA with aldehydes or ketones. Thus, by structural adaptation of active sites, practically any pharmaceutically and industrially important 2‐hydroxyacid could be biotechnologically synthesized. Combining crystal structure analysis, active site mutations and kinetic assays,
Michael Zahn +4 more
wiley +1 more source
Impact of the dicyanomethylene substitution position on the cyclophane macrocycle formation in carbazole-based biradicals [PDF]
, 2019 π-Conjugated biradical compounds, featuring unique unsaturated valences and radical centers in the ground state, are fundamentally important for understanding the nature of chemical bonds and have potential applications in material science. [1] Recently,
Badía-Domínguez, Irene +7 more
core
Regulation of Axial Chirality through Dynamic Covalent Bond Constrained Biaryls [PDF]
ACS Omega, 2019 A strategy of dynamic covalent chemistry within constrained biaryls was developed for the modulation of axial chirality. The ring fusion partners of amide and aldehyde allowed the manipulation of ring/chain equilibrium and chirality transfer within cyclic diastereomeric hemiaminal.
Hao Zheng +6 more
openaire +3 more sources
Advanced Engineering Materials, EarlyView.The release of foulers from protective marine coatings is determined by several interrelated material properties, including the strength of Young's modulus, the flexibility of chain segments, the surface free energy, and the magnitude of hydrodynamic stress.
Johann C. Schaal +2 more
wiley +1 more source
Can Ti‐Based MXenes Serve as Solid Lubricants for Brake Applications? A Tribological Study
Advanced Engineering Materials, EarlyView.This study explores the first implementation of Ti‐based MXenes materials in brake pad friction composite material. The resulting composite material exhibits a 48% reduction in the wear rate; alongside significant improvements are observed for thermal and mechanical properties.
Eslam Mahmoud +7 more
wiley +1 more source
Advanced Functional Materials, EarlyView.This study uncovers the unexplored role of intermolecular interactions in multiphoton absorption in coordination polymers. By analyzing [Zn2tpda(DMA)2(DMF)0.3], it shows how the electronic coupling of the chromophores and confinement in the MOF enhance two‐and three‐photon absorption.
Simon Nicolas Deger +11 more
wiley +1 more source
On the Role of Exchange Interaction in Magnetic Ordering and Conductivity of Manganites
, 2001 A model of chemical bonding between ions in manganites involving covalent one-electron $\sigma$ bonding is suggested. The covalent one-electron $\sigma$ bonding gives rise to a strongly correlated state of electrons resulting from the exchange ...
Krasinkova, M. V.
core +1 more source
Reinforced molecular recognition as an alternative to rigid receptors [PDF]
, 2006 In theory, a perfectly rigid receptor will probably be an unbeatable binder. However, rigidity may not be easy to achieve in practice and it is certainly not Nature’s method to realise high affinity. In many proteins binding affinity is increased through
Otto, Sijbren,
core +1 more source