Introducing DDEC6 atomic population analysis: part 3. Comprehensive method to compute bond orders-Reference-Cited by-同舟云学术

Introducing DDEC6 atomic population analysis: part 3. Comprehensive method to compute bond orders

Published:2017 Issue:72 Volume:7 Page:45552-45581
ISSN:2046-2069
Container-title:RSC Adv.
language:en
Short-container-title:RSC Adv.

Author:

Manz Thomas A.¹²³⁴^ORCID

Affiliation:

1. Department of Chemical & Materials Engineering

2. New Mexico State University

3. Las Cruces

4. USA

Abstract

A new method to compute accurate bond orders for metallic, covalent, polar-covalent, ionic, multi-centered, aromatic, dative, dispersion, and hydrogen bonding.

Funder

Division of Materials Research

Division of Advanced Cyberinfrastructure

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2017/RA/C7RA07400J

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