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Volume 124; Issue 44
Main
Journal of Physical Chemistry A
Volume 124; Issue 44
Journal of Physical Chemistry A
Volume 124; Issue 44
1
Unsupervised Learning-Based Multiscale Model of Thermochemistry in 1,3,5-Trinitro-1,3,5-triazinane (RDX)
Sakano, Michael N.
,
Hamed, Ahmed
,
Kober, Edward M.
,
Grilli, Nicolo
,
Hamilton, Brenden W.
,
Islam, Md Mahbubul
,
Koslowski, Marisol
,
Strachan, Alejandro
Journal:
Journal of Physical Chemistry A
Year:
2020
File:
PDF, 6.43 MB
Your tags:
2020
2
The Journal of Physical Chemistry A / B / C Virtual Special Issue on Machine Learning in Physical Chemistry
Ferguson, Andrew L.
,
Hachmann, Johannes
,
Miller, Thomas F.
,
Pfaendtner, Jim
Journal:
Journal of Physical Chemistry A
Year:
2020
File:
PDF, 532 KB
Your tags:
2020
3
Hydrolysis of Metal Dioxides Differentiates d-block from f-block Elements: Pa(V) as a 6d Transition Metal; Pr(V) as a 4f âLanthanylâ
Dau, Phuong D.
,
Vasiliu, Monica
,
Wilson, Richard E.
,
Dixon, David A.
,
Gibson, John K.
Journal:
Journal of Physical Chemistry A
Year:
2020
File:
PDF, 2.08 MB
Your tags:
2020
4
Multiscale Conformational Sampling Reveals Excited-State Locality in DNA Self-Repair Mechanism
Piccinni, Viviana
,
Reiter, Sebastian
,
Keefer, Daniel
,
de Vivie-Riedle, Regina
Journal:
Journal of Physical Chemistry A
Year:
2020
File:
PDF, 1.52 MB
Your tags:
2020
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