E-LIB Suche - Ergebnisse für: Oakley, Meagan S

1

Carbene Complexes of Plutonium: Structure, Bonding, and Div..:

Murillo, Jesse ; Seed, John A. ; Wooles, Ashley J....
Journal of the American Chemical Society. 146 (2024) 6 - p. 4098-4111 , 2024

Link: https://doi.org/10.1021/..

2

Relativistic Quantum Chemical Investigation of Actinide Cov..:

Birnoschi, Letitia ; Oakley, Meagan S. ; McInnes, Eric J. L..
Journal of the American Chemical Society. 146 (2024) 21 - p. 14660-14671 , 2024

Link: https://doi.org/10.1021/..

3

Metal–carbon bonding in early lanthanide substituted cyclop..:

Nodaraki, Lydia E. ; Liu, Jingjing ; Ariciu, Ana-Maria...
Chemical Science. 15 (2024) 8 - p. 3003-3010 , 2024

Link: https://doi.org/10.1039/..

4

First-Principles Study of Adsorption of Actinide Complexes ..:

Grover, Payal ; Oakley, Meagan S. ; Schreckenbach, Georg
The Journal of Physical Chemistry C. 128 (2024) 7 - p. 3033-3042 , 2024

Link: https://doi.org/10.1021/..

5

Alkali Tin Halides: Exploring the Local Structure of A2SnX6..:

Glockzin, Brayden ; Oakley, Meagan S. ; Karmakar, Abhoy...
The Journal of Physical Chemistry C. 127 (2023) 15 - p. 7284-7298 , 2023

Link: https://doi.org/10.1021/..

6

Uncovering the mechanism of selective stabilization of high..:

Oakley, Meagan S. ; Oakes, Madaline R. ; Wagner, Brian D..
Theoretical Chemistry Accounts. 143 (2023) 1 - p. , 2023

Link: https://doi.org/10.1007/..

7

AtomAccess: A Predictive Tool for Molecular Design and Its ..:

Gransbury, Gemma K. ; Corner, Sophie C. ; Kragskow, Jon G. C....
Journal of the American Chemical Society. 145 (2023) 41 - p. 22814-22825 , 2023

Link: https://doi.org/10.1021/..

8

Theoretical Investigation of Single-Molecule-Magnet Behavio..:

Ray, Debmalya ; Oakley, Meagan S. ; Sarkar, Arup..
Inorganic Chemistry. 62 (2023) 4 - p. 1649-1658 , 2023

Link: https://doi.org/10.1021/..

9

The Effects of Ring Strain on Cyclic Tetraaryl[5]cumulenes:

Sun, Bozheng ; Oakley, Meagan S. ; Yoshida, Kota...
Chemistry – A European Journal. 28 (2022) 38 - p. , 2022

Link: https://doi.org/10.1002/..

10

Multiconfiguration Pair-Density Functional Theory for Trans..:

Oakley, Meagan S. ; Gagliardi, Laura ; Truhlar, Donald G.
Molecules. 26 (2021) 10 - p. 2881 , 2021

Link: https://doi.org/10.3390/..

11

Analytic gradients for multiconfiguration pair-density func..:

Scott, Thais R. ; Oakley, Meagan S. ; Hermes, Matthew R....
The Journal of Chemical Physics. 154 (2021) 7 - p. , 2021

Link: https://doi.org/10.1063/..

12

The Future of Scientific Leadership is Interdisciplinary: T..:

V. Milić, Jovana ; Ehnbom, Andreas ; Garedew, Mahlet...
iScience. 23 (2020) 9 - p. 101442 , 2020

Link: https://doi.org/10.1016/..

13

Analytic gradients for state-averaged multiconfiguration pa..:

Scott, Thais R. ; Hermes, Matthew R. ; Sand, Andrew M....
The Journal of Chemical Physics. 153 (2020) 1 - p. , 2020

Link: https://doi.org/10.1063/..

14

Mechanochemical synthesis of 0D and 3D cesium lead mixed ha..:

Karmakar, Abhoy ; Dodd, Mya S. ; Zhang, Xiaoyue...
Chemical Communications. 55 (2019) 35 - p. 5079-5082 , 2019

Link: https://doi.org/10.1039/..

15

Multireference Methods for Calculating the Dissociation Ent..:

Oakley, Meagan S. ; Bao, Jie J. ; Klobukowski, Mariusz..
The Journal of Physical Chemistry A. 122 (2018) 26 - p. 5742-5749 , 2018

Link: https://doi.org/10.1021/..