Research
Research
Research
Research
6+ open-access research outputs.
The frozen-density embedding (FDE) scheme [Wesolowski and Warshel, J. Phys. Chem. 97, 8050 (1993)] relies on the use of approximations for the kinetic-energy component v(T)[rho(1),rho(2)] of the embed…
Spin-echo small angle neutron scattering (SESANS) provides a new experimental tool for structural investigation. Due to the action of spin-echo encoding, SESANS measures a spatial correlation function…
Oxidative modification of phospholipids generates a variety of oxidized phospholipid (Ox-PL) species which differ considerably in their chemical compositions and molecular structures. Recent results s…
Silicon photonic chips have the potential to realize complex integrated quantum information processing circuits, including photon sources, qubit manipulation, and integrated single-photon detectors. H…
As a starting point for our calculation of 3-methyl-4-phenyl-5-(2-pyridyl)-1,2,4-triazole we used the XRD data obtained by C. Liu, Z. Wang, H. Xiao, Y. Lan, X. Li, S. Wang, Jie Tang, Z. Chen, J. Chem.…
The Leuven isoprene mechanism, proposed earlier to aid in rationalizing the unexpectedly high hydroxyl radical (OH) concentrations in isoprene-rich, low-nitric-oxide (NO) regions ( Peeters ; et al. Ph…
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