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Assessing the importance of multireference correlation in predicting reversed conductance decay

Physical chemistry chemical physics : PCCP, 2024-02, Vol.26 (8), p.6696-677

2024

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Synergistic Pd‐Au Catalyst for Selective Electrosynthesis of Dimethyl Carbonate in Conjunction with High‐Rate Redox System

Advanced functional materials, 2024-09

2024

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The Use of Effective Core Potentials with Multiconfiguration Pair-Density Functional Theory

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2024-08, Vol.128 (31), p.6555-6565

2024

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A multiconfiguration pair-density functional theory-based approach to molecular junctions

The Journal of chemical physics, 2021-09, Vol.155 (11), p.114115-114115

2021

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Development and application of a 2-electron reduced density matrix approach to electron transport via molecular junctions

The Journal of chemical physics, 2017-11, Vol.147 (18), p.184110-184110

2017

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Examining conductance values in the biphenyl molecular switch with reduced density matrices

International journal of quantum chemistry, 2021-06, Vol.121 (11), p.n/a

2021

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Positive semidefinite tensor factorizations of the two-electron integral matrix for low-scaling ab initio electronic structure

The Journal of chemical physics, 2015-08, Vol.143 (6), p.064103-064103

2015

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Acetyl nitrate mediated conversion of methyl ketones to diverse carboxylic acid derivatives

Organic & biomolecular chemistry, 2021-06, Vol.19 (24), p.5298-532

2021

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Relative Energies and Geometries of the cis- and trans-HO3 Radicals from the Parametric 2‑Electron Density Matrix Method

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-02, Vol.117 (8), p.1817-1825

2013

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Energies and structures in biradical chemistry from the parametric two-electron reduced-density matrix method: applications to the benzene and cyclobutadiene biradicals

Physical chemistry chemical physics : PCCP, 2015-05, Vol.17 (19), p.12521-12529

2015

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Comparison of low-rank tensor expansions for the acceleration of quantum chemistry computations

The Journal of chemical physics, 2013-07, Vol.139 (3), p.034105-034105

2013

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Isoelectronic analogue of oxywater: a parametric two-electron reduced-density-matrix study of ammonia oxide

Molecular physics, 2012-05, Vol.110 (9-10), p.765-773

2012

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Potential Heavy Metal Water Remediation Using 5-Formylfuran-2-Sulfonic Acid Thiosemicarbazone Chelating Resins

Separation science and technology, 2015-12, Vol.50 (18), p.2907-2913

2015

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Predicting Emission in Substituted N‐Alkyl Carbazoles to Create New Mechanoluminescent Molecules

ChemistrySelect (Weinheim), 2023-09, Vol.8 (34)

2023

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Relative Energies and Geometries of the cis - and trans -HO 3 Radicals from the Parametric 2-Electron Density Matrix Method

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-02, Vol.117 (8), p.1817-1825

2013

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Relative Energies and Geometries of the cis- and trans-HO sub(3) Radicals from the Parametric 2-Electron Density Matrix Method

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-02, Vol.117 (8), p.1817-1825-1817-1825

2013

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Reduced density matrices and tensor factorizations for low cost quantum chemistry

Hoy, Erik P

2015

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Digitalized transcranial electrical stimulation: A consensus statement

Clinical neurophysiology, 2022-11, Vol.143, p.154-165

2022

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Epidemiology, molecular, and genetic methodologies to evaluate causes of CKDu around the world: report of the Working Group from the ISN International Consortium of Collaborators on CKDu

Kidney international, 2019-12, Vol.96 (6), p.1254-1260

2019

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Partial Mastectomy Versus Oncoplastic Breast Surgery; A Comparison of Outcomes Using The American College of Surgeons National Surgical Quality Improvement Program (ACS NSQIP) Database

Plastic and reconstructive surgery. Global open, 2022-10, Vol.10 (10S), p.20-21

2022

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An Anatomical Evaluation and Surgical Approach to the Perioral Mound in Facial Rejuvenation

Plastic and reconstructive surgery (1963), 2010-10, Vol.126 (4), p.1333-1340

2010

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Vaginal temperature and collar activity variations in relation to fecal progestagens of captive moose

Animal biotelemetry, 2023-10, Vol.11 (1), p.1-13, Article 36

2023

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Total nasal reconstruction using distraction osteogenesis

Plastic and reconstructive surgery (1963), 2010-12, Vol.126 (6), p.285e-287e

2010

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Effects of medium-chain fatty acids and oleic acid on blood lipids, lipoproteins, glucose, insulin, and lipid transfer protein activities

The American journal of clinical nutrition, 2004-04, Vol.79 (4), p.564-569

2004

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Splanchnic metabolism of fuel substrates in acute liver failure

Journal of hepatology, 2000-12, Vol.33 (6), p.941-948

2000

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Assessing the importance of multireference correlation in predicting reversed conductance decay

Synergistic Pd‐Au Catalyst for Selective Electrosynthesis of Dimethyl Carbonate in Conjunction with High‐Rate Redox System

The Use of Effective Core Potentials with Multiconfiguration Pair-Density Functional Theory

A multiconfiguration pair-density functional theory-based approach to molecular junctions

Development and application of a 2-electron reduced density matrix approach to electron transport via molecular junctions

Examining conductance values in the biphenyl molecular switch with reduced density matrices

Positive semidefinite tensor factorizations of the two-electron integral matrix for low-scaling ab initio electronic structure

Acetyl nitrate mediated conversion of methyl ketones to diverse carboxylic acid derivatives

Relative Energies and Geometries of the cis- and trans-HO3 Radicals from the Parametric 2‑Electron Density Matrix Method

Energies and structures in biradical chemistry from the parametric two-electron reduced-density matrix method: applications to the benzene and cyclobutadiene biradicals

Comparison of low-rank tensor expansions for the acceleration of quantum chemistry computations

Isoelectronic analogue of oxywater: a parametric two-electron reduced-density-matrix study of ammonia oxide

Potential Heavy Metal Water Remediation Using 5-Formylfuran-2-Sulfonic Acid Thiosemicarbazone Chelating Resins

Predicting Emission in Substituted N‐Alkyl Carbazoles to Create New Mechanoluminescent Molecules

Relative Energies and Geometries of the cis - and trans -HO 3 Radicals from the Parametric 2-Electron Density Matrix Method

Relative Energies and Geometries of the cis- and trans-HO sub(3) Radicals from the Parametric 2-Electron Density Matrix Method

Reduced density matrices and tensor factorizations for low cost quantum chemistry

Digitalized transcranial electrical stimulation: A consensus statement

Epidemiology, molecular, and genetic methodologies to evaluate causes of CKDu around the world: report of the Working Group from the ISN International Consortium of Collaborators on CKDu

Partial Mastectomy Versus Oncoplastic Breast Surgery; A Comparison of Outcomes Using The American College of Surgeons National Surgical Quality Improvement Program (ACS NSQIP) Database

An Anatomical Evaluation and Surgical Approach to the Perioral Mound in Facial Rejuvenation

Vaginal temperature and collar activity variations in relation to fecal progestagens of captive moose

Total nasal reconstruction using distraction osteogenesis

Effects of medium-chain fatty acids and oleic acid on blood lipids, lipoproteins, glucose, insulin, and lipid transfer protein activities

Splanchnic metabolism of fuel substrates in acute liver failure

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