Molecular geometry, vibrational, NBO, HOMO–LUMO, first order hyper polarizability and electrostatic potential studies on anilinium hydrogen oxalate hemihydrate – an organic crystalline salt-Reference-Cited by-同舟云学术

Molecular geometry, vibrational, NBO, HOMO–LUMO, first order hyper polarizability and electrostatic potential studies on anilinium hydrogen oxalate hemihydrate – an organic crystalline salt

Published:2021-02-24 Issue: Volume: Page:1-8
ISSN:2470-1556
Container-title:Inorganic and Nano-Metal Chemistry
language:en
Short-container-title:Inorganic and Nano-Metal Chemistry

Author:

Kanagathara N.¹,Usha R.¹,Natarajan V.²,Marchewka M.K.³

Affiliation:

1. Department of Physics, Saveetha School of Engineering, SIMATS, Chennai, Tamil Nadu, India

2. Department of Physics, Rajalakshmi Institute of Technology, Chennai, Tamil Nadu, India

3. Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Poland

Publisher

Informa UK Limited

Subject

Inorganic Chemistry,Physical and Theoretical Chemistry

Link

https://www.tandfonline.com/doi/pdf/10.1080/24701556.2021.1891103

Reference34 articles.

1. Perspective on density functional theory

2. Frontiers in electronic structure theory

3. Facile Bismuth−Oxygen Bond Cleavage, C−H Activation, and Formation of a Monodentate Carbon-Bound Oxyaryl Dianion, (C6H2tBu2-3,5-O-4)2−

4. Structural, Spectroscopic and Hirshfeld Surface Analysis of Anilinium Malonate

5. The first chiral 2-D molecular triangular grid †

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