The Role of Dynamical Electron Correlation in the Differences inBonding Between CaAlH3 and MgAlH3

Fabio E. Penotti; David L. Cooper; Peter Borislavov Karadakov

doi:10.1021/acs.jpca.1c02422

The Role of Dynamical Electron Correlation in the Differences inBonding Between CaAlH₃ and MgAlH₃

Fabio E. Penotti, David L. Cooper, Peter Borislavov Karadakov

Chemistry

Research output: Contribution to journal › Article › peer-review

Original language	English
Pages (from-to)	3912-3919
Journal	Journal of Physical Chemistry A
Volume	125
Issue number	18
Early online date	4 May 2021
DOIs	https://doi.org/10.1021/acs.jpca.1c02422
Publication status	Published - 13 May 2021

Bibliographical note

© 2021 American Chemical Society. This is an author-produced version of the published paper. Uploaded in accordance with the publisher’s self-archiving policy. Further copying may not be permitted; contact the publisher for details

Access to Document

10.1021/acs.jpca.1c02422

M'MH3-jpca-rev
© 2021 American Chemical Society. This is an author-produced version of the published paper. Uploaded in accordance with the publisher’s self-archiving policy. Further copying may not be permitted; contact the publisher for details
Accepted author manuscript, 737 KB

Cite this

@article{fc5767cb7a6948d387e3e18ed40c2596,

title = "The Role of Dynamical Electron Correlation in the Differences inBonding Between CaAlH3 and MgAlH3",

author = "Penotti, {Fabio E.} and Cooper, {David L.} and Karadakov, {Peter Borislavov}",

note = "{\textcopyright} 2021 American Chemical Society. This is an author-produced version of the published paper. Uploaded in accordance with the publisher{\textquoteright}s self-archiving policy. Further copying may not be permitted; contact the publisher for details",

year = "2021",

month = may,

day = "13",

doi = "10.1021/acs.jpca.1c02422",

language = "English",

volume = "125",

pages = "3912--3919",

journal = "Journal of Physical Chemistry A",

issn = "1089-5639",

publisher = "American Chemical Society",

number = "18",

}

TY - JOUR

T1 - The Role of Dynamical Electron Correlation in the Differences inBonding Between CaAlH3 and MgAlH3

AU - Penotti, Fabio E.

AU - Cooper, David L.

AU - Karadakov, Peter Borislavov

N1 - © 2021 American Chemical Society. This is an author-produced version of the published paper. Uploaded in accordance with the publisher’s self-archiving policy. Further copying may not be permitted; contact the publisher for details

PY - 2021/5/13

Y1 - 2021/5/13

U2 - 10.1021/acs.jpca.1c02422

DO - 10.1021/acs.jpca.1c02422

M3 - Article

SN - 1089-5639

VL - 125

SP - 3912

EP - 3919

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

IS - 18

ER -