Publications by authors named "Rulin Feng"

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A cross-entropy corrected hybrid multiconfiguration pair-density functional theory for complex molecular systems.
Rulin Feng, Igor Ying Zhang, Xin Xu

Nat Commun· January 2025

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The OpenMolcas : A Community-Driven Approach to Advancing Computational Chemistry.
Giovanni Li Manni, Ignacio Fdez Galván, Ali Alavi, Flavia Aleotti, Francesco Aquilante, Rulin Feng

J Chem Theory Comput· October 2023

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Alkali-Etched Imprinted Mn-Based Prussian Blue Analogues with Superior Oxidase-Mimetic Activity and Precise Recognition for Tetracycline Colorimetric Sensing.
Bangxiang Liu, Hengjia Zhu, Jinjin Liu, Mengzhu Wang, Jianming Pan, Rulin Feng

ACS Appl Mater Interfaces· May 2023

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Covalency of Trivalent Actinide Ions with Different Donor Ligands: Do Density Functional and Multiconfigurational Wavefunction Calculations Corroborate the Observed "Breaks"?
Xiaojuan Yu, Dumitru-Claudiu Sergentu, Rulin Feng, Jochen Autschbach

Inorg Chem· December 2021

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Spin-Orbit Natural Transition Orbitals and Spin-Forbidden Transitions.
Rulin Feng, Xiaojuan Yu, Jochen Autschbach

J Chem Theory Comput· December 2021

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Coupled Cluster Studies of Platinum-Actinide Interactions. Thermochemistry of PtAnO ( = 0-2 and An = U, Np, Pu).
Rulin Feng, Eric D Glendening, Kirk A Peterson

J Phys Chem A· June 2021

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Electron-Nucleus Hyperfine Coupling Calculated from Restricted Active Space Wavefunctions and an Exact Two-Component Hamiltonian.
Rulin Feng, Thomas J Duignan, Jochen Autschbach

J Chem Theory Comput· January 2021

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Cerium(iv) complexes with guanidinate ligands: intense colors and anomalous electronic structures.
Yusen Qiao, Haolin Yin, Liane M Moreau, Rulin Feng, Robert F Higgins

Chem Sci· December 2020

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Coupled Cluster Study of the Interactions of AnO, AnO, and AnO (An = U, Np) with N and CO.
Rulin Feng, Eric D Glendening, Kirk A Peterson

Inorg Chem· April 2020

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Al27 NMR chemical shift of Al(OH) calculated from first principles: Assessment of error cancellation in chemically distinct reference and target systems.
Ernesto Martinez-Baez, Rulin Feng, Carolyn I Pearce, Gregory K Schenter, Aurora E Clark

J Chem Phys· April 2020

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Actinyl cation-cation interactions in the gas phase: an accurate thermochemical study.
Rulin Feng, Eric D Glendening, Kirk A Peterson

Phys Chem Chem Phys· April 2019

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Correlation consistent basis sets for actinides. II. The atoms Ac and Np-Lr.
Rulin Feng, Kirk A Peterson

J Chem Phys· August 2017

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Acidity of M(VI)O(OH) for M = Group 6, 16, and U as Central Atoms.
Rulin Feng, Monica Vasiliu, Kirk A Peterson, David A Dixon

J Phys Chem A· February 2017

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