Quantum crystallography is an emerging research field of science that has its origin in the
early days of quantum physics and modern crystallography when it was almost immediately …

Since the early days of quantum physics, the possibility of obtaining wave functions
consistent with experimental x-ray diffraction data has been envisioned. The idea is firmly …

Resonance-assisted hydrogen bonds (RAHBs) are exploited in chemical synthesis or serve
as models for biologically relevant proton-transfer reactions [KT Mahmudov and AJL …

The x-ray restrained wave function (XRW) method is a quantum crystallographic technique
to extract wave functions compatible with experimental x-ray diffraction data. The approach …

The purpose of this study is to assess the capability of X-ray restrained molecular
wavefunction methods to reproduce the perturbation due to the crystal field. The effect of the …

The activation of the silicon–silicon bond in disilane Ph2Si (μ-PzMe2) 2SiPh2 (1), which
possesses two five-coordinate silicon centers, was achieved by a reaction with Pd (0) or Ni …

Metal‐organic frameworks (MOFs) offer a convenient means for capturing, transporting, and
releasing small molecules. Their rational design requires an in‐depth understanding of the …

The reaction of N-trimethylsilylacetamides with ambifunctional silane ClCH2SiMeCl2
afforded N-[dichloro (methyl) silylmethyl]-N-methylacetamide, N-[dichloro (methyl) …

Modern methods of quantum crystallography are techniques firmly rooted in quantum
chemistry and, as in many quantum chemical strategies, electron densities are expressed as …

N-(Chlorodimethylsilyl) methyl anilides of formula RC (O) N (C 6 H 4 X) CH 2 SiMe 2 Cl (R=
Me, Ph; X= H, Me, Cl) were obtained by the reaction of N-TMS-containing anilides with ClCH …