Harmonizing accuracy and efficiency: A pragmatic approach to fragmentation of large molecules
Author:
Affiliation:
1. Interdisciplinary School of Scientific Computing, Savitribai Phule Pune University, Pune 411007, India
2. Department of Physical and Computational Chemistry, East Carolina University, Greenville, North Carolina 27858, USA
Funder
Center for Development of Advanced Computing, Pune, India
Department of Science and Technology, Govt. of India, New Delhi
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.5036595
Reference52 articles.
1. A Chemist's Guide to Density Functional Theory
2. Density Functional Theory
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