Experimental, experimental–theoretical and theoretical estimates of intermolecular interaction energies in η6-[(5-methyl-1,3-oxazolidin-3-yl)benzene]tricarbonylchromium(0)

Experimental study of X-ray charge density and the selection of reference points for a source function in η6-(2-methyl-1,4-dihydro-2H-3,1-benzoxazine)tricarbonylchromium(0)

(2019) Georgy K. Fukin et al.   MENDELEEV COMMUNICATIONS

Experimental and experimental-theoretical topological characteristics of the electron density distribution in the crystal of NCN-(2-pyridinecarbonitrile)-(3,6-di-tert-butylcatecholato)triphenylantimony(v)

(2019) G. K. Fukin et al.   RUSSIAN CHEMICAL BULLETIN

Comparison of Experimental and Experimental–Theoretical Topological Characteristics of the Electron Density in the Crystalline Complex η6-[3-Acetyltetrahydro-6-Phenyl-2Н-1,3-oxazine]tricarbonylchromium(0)

(2019) G. K. Fukin et al.   RUSSIAN JOURNAL OF COORDINATION CHEMISTRY

The Electron Density Distribution in Crystals of η 6 –[1,4–dihydrospiro(2 H –3,1–benzoxazine–2,1′–cyclohexane)]tricarbonylchromium(0): Experiment vs Molecular Invariom

(2019) Georgy K. Fukin et al.   ChemistrySelect

Quantum-mechanical condensed matter simulations with CRYSTAL

(2018) Roberto Dovesi et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

The synthesis of new 1,3-oxazolidines and 1,3-oxazinanes containing (η6-arene)tricarbonylchromium group based on condensation between aldehydes and amino alcohols

(2018) A. N. Artemov et al.   RUSSIAN CHEMICAL BULLETIN

Transferable Aspherical Atom Modeling of Electron Density in Highly Symmetric Crystals: A Case Study of Alkali-Metal Nitrates

(2017) Yulia V. Nelyubina et al.   INORGANIC CHEMISTRY

A feasibility study on obtaining d-orbital populations from aspherical-atom refinements on three spin crossover compounds

(2017) Birger Dittrich et al.   STRUCTURAL CHEMISTRY

Invariom approach to electron density studies of open-shell compounds: the case of an organic nitroxide radical

(2016) Yu. V. Nelyubina et al.   RSC Advances

Experimental and Theoretical AIM and NCI Index Study of Substituted Arene Tricarbonyl Complexes of Chromium(0)

(2016) Georgy K. Fukin et al.   ChemistrySelect

Probing Ionic Crystals by the Invariom Approach: An Electron Density Study of Guanidinium Chloride and Carbonate

(2015) Yulia V. Nelyubina et al.   CHEMISTRY-A EUROPEAN JOURNAL

Probing Weak Intermolecular Interactions by Using the Invariom Approach: A Comparative Study ofs-Tetrazine

(2014) Yulia V. Nelyubina et al.   CHEMISTRY-A EUROPEAN JOURNAL

Aspherical-Atom Modeling of Coordination Compounds by Single-Crystal X-ray Diffraction Allows the Correct Metal Atom To Be Identified

(2014) Birger Dittrich et al.   CHEMPHYSCHEM

Electron densities of bexarotene and disila-bexarotene from invariom application: a comparative study

(2013) Peter Luger et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Electron Density of Two Bioactive Oligocyclic Indole and Oxindole Derivatives Obtained from Low-Order X-Ray Data and Invariom Application

(2011) Manuela Weber et al.   Chemistry-An Asian Journal

How to easily replace the independent atom model – the example of bergenin, a potential anti-HIV agent of traditional Asian medicine

(2009) Birger Dittrich et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

The QTAIM Approach to Chemical Bonding Between Transition Metals and Carbocyclic Rings: A Combined Experimental and Theoretical Study of (η5-C5H5)Mn(CO)3, (η6-C6H6)Cr(CO)3, and (E)-{(η5-C5H4)CFCF(η5-C5H4)}(η5-C5H5)2Fe2

(2008) Louis J. Farrugia et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY