We present critic 2, a program for the analysis of quantum-mechanical atomic and molecular
interactions in periodic solids. This code, a greatly improved version of the previous critic …

We introduce a density-dependent bonding descriptor that enables simultaneous
visualization of both covalent and noncovalent interactions. The proposed quantity is …

The validity of the newly proposed 'carbon bonding', an interaction where a carbon atom
acts as an electrophilic site towards a variety of nucleophiles, has been investigated in the …

Synchrotron radiation has many compelling advantages over conventional radiation sources
in the measurement of accurate Bragg diffraction data. The variable photon energy and …

The new release of the computer program package WinXPRO v. 3x for determination of the
crystal properties from parameters of the multipole-modeled experimental electron density …

The electron density distributions in both polymorphs of the promising photovoltaic material
iron disulfide have been determined by multipole modelling against state-of-the-art …

Synchrotron powder X-ray diffraction data are used to determine the core electron
deformation of diamond. Core shell contraction inherently linked to covalent bond formation …

An experimental charge-density analysis of pyrazinamide (a first line antitubercular drug)
was performed using high-resolution X-ray diffraction data [(sin θ/λ) max= 1.1 Å− 1] …

A systematic study of six tetracyclones has been carried out using experimental and
theoretical charge density analysis. A three pronged approach based on quantum theory of …

Isoniazid (isonicotinohydrazide) is an important first-line antitubercular drug that targets the
InhA enzyme which synthesizes the critical component of the mycobacterial cell wall. An …