skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Density Functional Modeling of Ligand Effects on Electronic Structure and C–H Bond Activation Activity of Copper(III) Hydroxide Compounds

Abstract

Not provided.

Authors:
 [1]; ORCiD logo [1]; ORCiD logo [1]
  1. Department of Chemistry, Minnesota Supercomputing Institute, and Chemical Theory Center, University of Minnesota, Minneapolis, Minnesota 55455, United States
Publication Date:
Research Org.:
Univ. of Minnesota, Minneapolis, MN (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1539112
DOE Contract Number:  
SC0012702
Resource Type:
Journal Article
Journal Name:
Inorganic Chemistry
Additional Journal Information:
Journal Volume: 57; Journal Issue: 16; Journal ID: ISSN 0020-1669
Publisher:
American Chemical Society (ACS)
Country of Publication:
United States
Language:
English
Subject:
Chemistry

Citation Formats

Dereli, Büsra, Momeni, Mohammad R., and Cramer, Christopher J. Density Functional Modeling of Ligand Effects on Electronic Structure and C–H Bond Activation Activity of Copper(III) Hydroxide Compounds. United States: N. p., 2018. Web. doi:10.1021/acs.inorgchem.8b01530.
Dereli, Büsra, Momeni, Mohammad R., & Cramer, Christopher J. Density Functional Modeling of Ligand Effects on Electronic Structure and C–H Bond Activation Activity of Copper(III) Hydroxide Compounds. United States. doi:10.1021/acs.inorgchem.8b01530.
Dereli, Büsra, Momeni, Mohammad R., and Cramer, Christopher J. Mon . "Density Functional Modeling of Ligand Effects on Electronic Structure and C–H Bond Activation Activity of Copper(III) Hydroxide Compounds". United States. doi:10.1021/acs.inorgchem.8b01530.
@article{osti_1539112,
title = {Density Functional Modeling of Ligand Effects on Electronic Structure and C–H Bond Activation Activity of Copper(III) Hydroxide Compounds},
author = {Dereli, Büsra and Momeni, Mohammad R. and Cramer, Christopher J.},
abstractNote = {Not provided.},
doi = {10.1021/acs.inorgchem.8b01530},
journal = {Inorganic Chemistry},
issn = {0020-1669},
number = 16,
volume = 57,
place = {United States},
year = {2018},
month = {4}
}