Works (9)

Updated: July 5th, 2023 15:34

2023 article

Adaptive basis sets for practical quantum computing

Kwon, H.-Y., Curtin, G. M. M., Morrow, Z., Kelley, C. T., & Jakubikova, E. (2023, April 5). INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Vol. 4.

By: H. Kwon n, G. Curtin n, Z. Morrow n, C. Kelley n & E. Jakubikova n

author keywords: adaptive basis set; potential energy surface; quantum computing
Sources: Web Of Science, ORCID
Added: April 6, 2023

2022 article

Buffer Assists Electrocatalytic Nitrite Reduction by a Cobalt Macrocycle Complex

Braley, S. E., Kwon, H.-Y., Xu, S., Dalton, E. Z., Jakubikova, E., & Smith, J. M. (2022, August 10). INORGANIC CHEMISTRY, Vol. 8.

By: S. Braley*, H. Kwon n, S. Xu*, E. Dalton*, E. Jakubikova n & J. Smith*

MeSH headings : Ammonium Compounds; Cobalt; Nitrites; Oxidation-Reduction; Phosphates
Sources: Web Of Science, ORCID
Added: August 29, 2022

2021 journal article

Efficient Approximation of Potential Energy Surfaces with Mixed-Basis Interpolation

JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 17(9), 5673–5683.

By: Z. Morrow n, H. Kwon n, C. Kelley n & E. Jakubikova n

Sources: Web Of Science, ORCID
Added: August 6, 2021

2021 article

Electrocatalytic nitrate reduction with Co-based catalysts: comparison of DIM, TIM and cyclam ligands

Kwon, H.-Y., Braley, S. E., Madriaga, J. P., Smith, J. M., & Jakubikova, E. (2021, August 11). DALTON TRANSACTIONS, Vol. 8.

By: H. Kwon n, S. Braley*, J. Madriaga*, J. Smith* & E. Jakubikova n

Sources: Web Of Science, ORCID
Added: August 30, 2021

2021 article

Halogenation affects driving forces, reorganization energies and "rocking" motions in strained [Fe(tpy)(2)](2+) complexes

Kwon, H.-Y., Ashley, D. C., & Jakubikova, E. (2021, September 10). DALTON TRANSACTIONS, Vol. 9.

By: H. Kwon n, D. Ashley n & E. Jakubikova n

Sources: Web Of Science, ORCID
Added: October 4, 2021

2021 journal article

Interpolation Methods for Molecular Potential Energy Surface Construction

JOURNAL OF PHYSICAL CHEMISTRY A, 125(45), 9725–9735.

By: H. Kwon n, Z. Morrow n, C. Kelley n & E. Jakubikova n

Sources: Web Of Science, ORCID
Added: November 4, 2021

2021 article

Reduced-dimensional surface hopping with offline-online computations

Morrow, Z., Kwon, H.-Y., Kelley, C. T., & Jakubikova, E. (2021, August 19). PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 8.

By: Z. Morrow n, H. Kwon n, C. Kelley n & E. Jakubikova n

Sources: Web Of Science, ORCID
Added: August 27, 2021

2019 journal article

Intramolecular Hydrogen Bonding Facilitates Electrocatalytic Reduction of Nitrite in Aqueous Solutions

INORGANIC CHEMISTRY, 58(14), 9443–9451.

Sources: Web Of Science, ORCID
Added: August 19, 2019

2018 journal article

A flexible, redox-active macrocycle enables the electrocatalytic reduction of nitrate to ammonia by a cobalt complex

CHEMICAL SCIENCE, 9(22), 4950–4958.

Sources: Web Of Science, ORCID
Added: August 6, 2018

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