Shalini L

Department of Software Systems

School of Computer Science and Engineering

Vellore Campus

Kalainathan S

Department of Physics

School of Advanced Sciences

Hema N

Computer Science

Chennai Campus

Ambika V.R

Jayalakshmi D.

Vellore Institute of Technology (VIT) is a private university located in&nbsp;Tamil Nadu, India. Founded in 1984, as Vellore Engineering College, the institution offers 20 undergraduate, 34 postgraduate, four integrated and four research programs. It has campuses in Vellore, Amravati, Bhopal and Chennai.

VIT is one of the top ranked private universities in India according to NIRF, THE and QS Rankings.&nbsp;Govt. of India has recognized&nbsp;VIT, Vellore as an&nbsp;Institution of Eminence. This has allowed VIT to take independent quality initiatives and move up in world ranking.

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VIT University

Journal of Molecular Structure

Optical Materials

Optical spectroscopy, crystalline perfection, etching and mechanical studies on P-nitroaniline (PNA) single crystals

Physical optical properties and crystal structures of organic 5-sulfosalicylates – Theoretical and experimental study

<jats:p>An account is given of the development of the<jats:italic>SHELX</jats:italic>system of computer programs from<jats:italic>SHELX</jats:italic>-76 to the present day. In addition to identifying useful innovations that have come into general use through their implementation in<jats:italic>SHELX</jats:italic>, a critical analysis is presented of the less-successful features, missed opportunities and desirable improvements for future releases of the software. An attempt is made to understand how a program originally designed for photographic intensity data, punched cards and computers over 10000 times slower than an average modern personal computer has managed to survive for so long.<jats:italic>SHELXL</jats:italic>is the most widely used program for small-molecule refinement and<jats:italic>SHELXS</jats:italic>and<jats:italic>SHELXD</jats:italic>are often employed for structure solution despite the availability of objectively superior programs.<jats:italic>SHELXL</jats:italic>also finds a niche for the refinement of macromolecules against high-resolution or twinned data;<jats:italic>SHELXPRO</jats:italic>acts as an interface for macromolecular applications.<jats:italic>SHELXC</jats:italic>,<jats:italic>SHELXD</jats:italic>and<jats:italic>SHELXE</jats:italic>are proving useful for the experimental phasing of macromolecules, especially because they are fast and robust and so are often employed in pipelines for<jats:italic>high-throughput</jats:italic>phasing. This paper could serve as a general literature citation when one or more of the open-source<jats:italic>SHELX</jats:italic>programs (and the Bruker AXS version<jats:italic>SHELXTL</jats:italic>) are employed in the course of a crystal-structure determination.</jats:p>

Acta Crystallographica Section A Foundations of Crystallography

A short history ofSHELX

Acta Crystallographica Section E Structure Reports Online

Piperazine-1,4-diium bis(3-carboxy-4-hydroxybenzenesulfonate) dihydrate

Crystal Growth & Design

Growth of Benzimidazole Single Crystal by Sankaranarayanan−Ramasamy Method and Its Characterization by High-Resolution X-ray Diffraction, Thermogravimetric/Differential Thermal Analysis, and Birefringence Studies

Structural, spectral and birefringence studies of semiorganic nonlinear optical single crystal: Calcium5-sulfosalicylate

Journal	Data powered by TypesetJournal of Molecular Structure
Publisher	Data powered by TypesetElsevier BV
ISSN	0022-2860
Open Access	0