Vibrational Circular Dichroism Spectra for Large Molecules through Molecules-in-Molecules Fragment-Based Approach

Jose, K. V. Jovan; Beckett, Daniel J; Raghavachari, Krishnan

doi:10.1021/acs.jctc.5b00647

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Vibrational Circular Dichroism Spectra for Large Molecules through Molecules-in-Molecules Fragment-Based Approach

Author(s): K. V. Jovan Jose ¹ , Daniel Beckett ¹ , Krishnan Raghavachari ¹

Publication date Created: August 18 2015

Publication date (Electronic): August 19 2015

Journal: Journal of Chemical Theory and Computation

Publisher: American Chemical Society (ACS)

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Title: Journal of Chemical Theory and Computation

Abbreviated Title: J. Chem. Theory Comput.

Publisher: American Chemical Society (ACS)

ISSN (Print): 1549-9618

ISSN (Electronic): 1549-9626

Publication date Created: August 18 2015

Publication date Created: September 08 2015

Publication date (Electronic): August 19 2015

Publication date (Print): September 08 2015

Volume: 11

Issue: 9

Pages: 4238-4247

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[1 ]Department of Chemistry, Indiana University, Bloomington, Indiana 47405, United States

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DOI: 10.1021/acs.jctc.5b00647

SO-VID: f6762711-eb48-4538-95f6-9678cbfccf63

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