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Communication: Compact orbitals enable low-cost linear-scaling ab initio molecular dynamics for weakly-interacting systems
by
Scheiber, Hayden
,
Shi, Yifei
,
Khaliullin, Rustam Z.
Published in
The Journal of chemical physics
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Phosphonate Chelators for Medicinal Metal Ions
by
Kostelnik, Thomas I
,
Scheiber, Hayden
,
Cappai, Rosita
,
Choudhary, Neha
,
Lindheimer, Felix
,
Guadalupe Jaraquemada-Peláez, María de
,
Orvig, Chris
Published in
Inorganic chemistry
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Contribution of the Covalent Component of the Hydrogen-Bond Network to the Properties of Liquid Water
by
Shi, Yifei
,
Scheiber, Hayden
,
Khaliullin, Rustam Z
Published in
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
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H 4 HBEDpa: Octadentate Chelate after A. E. Martell
by
Choudhary, Neha
,
Scheiber, Hayden
,
Zhang, Jiale
,
Patrick, Brian O.
,
de Guadalupe Jaraquemada-Peláez, María
,
Orvig, Chris
Published in
Inorganic chemistry
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H4HBEDpa: Octadentate Chelate after A. E. Martell
by
Choudhary, Neha
,
Scheiber, Hayden
,
Zhang, Jiale
,
Patrick, Brian O
,
de Guadalupe Jaraquemada-Peláez, María
,
Orvig, Chris
Published in
Inorganic chemistry
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Low-cost orbital-based linear-scaling \emph{ab initio} molecular dynamics for weakly-interacting systems
by
Scheiber, Hayden
,
Shi, Yifei
,
Khaliullin, Rustam Z
Published in
arXiv.org
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