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Ушбу иш иқтибос қилган ишлар

Crystal structure refinement with<i>SHELXL</i>

<i>SHELXT</i>– Integrated space-group and crystal-structure determination

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Density-functional thermochemistry. III. The role of exact exchange

Hirshfeld surface analysis

Self-Consistent Equations Including Exchange and Correlation Effects

Сарлавҳасиз

Towards quantitative analysis of intermolecular interactions with Hirshfeld surfaces

Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions

Density-functional exchange-energy approximation with correct asymptotic behavior

Structure validation in chemical crystallography

Patterns in Hydrogen Bonding: Functionality and Graph Set Analysis in Crystals

Vibrational Energy Distribution Analysis (VEDA): Scopes and limitations

<i>WinGX</i>and<i>ORTEP for Windows</i>: an update

Self-consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets

Bonded-atom fragments for describing molecular charge densities

Visualisation and characterisation of voids in crystalline materials

Crystal structure, Hirshfeld surfaces and DFT computation of NLO active (2E)-2-(ethoxycarbonyl)-3-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino] prop-2-enoic acid

Quantitative analysis of intermolecular interactions in orthorhombic rubrene

Infrared Spectroscopy: Fundamentals and Applications

Metal complexes of Schiff base: Preparation, characterization and antibacterial activity

Diaquabis(2-bromobenzoato-κ<i>O</i>)bis(nicotinamide-κ<i>N</i><sup>1</sup>)zinc(II)

Introduction to spectroscopy : a guide for students of organic chemistry

Relativistic compact effective potentials and efficient, shared-exponent basis sets for the third-, fourth-, and fifth-row atoms

New Developments in Molecular Orbital Theory