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Theoretical and Computational Chemistry

Working Paper

CASPT2 molecular geometries of Fe(II) spin-crossover complexes

Brian A. Finney, Sabyasachi Roy Chowdhury, Clara Kirkvold, Bess Vlaisavljevich

Version 1 posted 05 November 2021

345

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Catalysis

Working Paper

On the Spatial Design of Co-Fed Amines for Selective Dehydration of Methyl Lactate to Acrylates

Yutong Pang, M. Alexander Ardagh, Manish Shetty, Anargyros Chatzidmitriou, Gaurav Kumar, Bess Vlaisavljevich, Paul Dauenhauer

Version 1 posted 05 February 2021

427

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Organometallic Chemistry

Working Paper

Actinide Arene-Metalates: Ion Pairing Effects on the Electronic Structure of Unsupported Uranium-Arene Sandwich Complexes

Jesse Murillo, Rina Bhowmick, Katie L. M. Harriman, Alejandra Gomez-Torres, Joshua Wright, Robert W. Meulenberg, Pere Miro Ramirez, Alejandro J. Metta-Magaña, Muralee Murugesu, Bess Vlaisavljevich, Skye Fortier

Version 1 posted 21 April 2021

461

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Organometallic Chemistry

Working Paper

Actinide Arene-Metalates: 2. A Neutral Uranium Bis(Anthracenide) Sandwich Complex and Elucidation of its Electronic Structure

Jesse Murillo, Rina Bhowmick, Katie Harriman, Alejandra Gomez-Torres, Joshua Wright, Pere Miro, Alejandro Metta-Magana, Muralee Murugesu, Bess Vlaisavljevich, Skye Fortier

Version 1 posted 10 June 2022

204

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Catalysis

Working Paper

Sulfurous Zeosils for Dehydra-Decyclization of Tetrahydrofuran to Renewable Butadiene

Raisa Carmen Andeme Ela, Jorge Barroso, Gaurav Kumar, Kaivalya Gawande, Manish Shetty, Xinyu Li, Wei Fan, Bess Vlaisavljevich, Paul Dauenhauer

Version 2 posted 18 August 2023

186

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Theoretical and Computational Chemistry

Working Paper

What is the nature of the uranium(III)-arene bond?

Sabyasachi Roy Chowdhury, Conrad A. P. Goodwin, Bess Vlaisavljevich

Version 1 posted 07 September 2023

258

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Importance of Dispersion in the Molecular Geometries of Mn(III) Spin Crossover Complexes

Sabyasachi Roy Chowdhury, Ngan Nguyen, Bess Vlaisavljevich

Version 1 posted 04 November 2022

206

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Catalysis

Working Paper

Multifunctional Amine Modifiers for Selective Dehydration of Methyl Lactate to Acrylates

Yutong Pang, ChoongSze Lee, Bess Vlaisavljevich, Christopher Nicholas, Paul Dauenhauer

Version 1 posted 20 June 2022

483

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Molecular Geometry and Electronic Structure of Copper Corroles

Rina Bhowmick, Sabyasachi Roy Chowdhury, Bess Vlaisavljevich

Version 1 posted 29 May 2023

209

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1

Citations

Inorganic Chemistry

Working Paper

Computational Spectroscopy of the Cr–Cr Bond in Coordination Complexes

Toru Shiozaki, Bess Vlaisavljevich

Version 2 posted 07 December 2021

503

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Refine Search

12 results in Bess Vlaisavljevich in Authors: Bess Vlaisavljevich

CASPT2 molecular geometries of Fe(II) spin-crossover complexes

On the Spatial Design of Co-Fed Amines for Selective Dehydration of Methyl Lactate to Acrylates

Actinide Arene-Metalates: Ion Pairing Effects on the Electronic Structure of Unsupported Uranium-Arene Sandwich Complexes

Actinide Arene-Metalates: 2. A Neutral Uranium Bis(Anthracenide) Sandwich Complex and Elucidation of its Electronic Structure

Sulfurous Zeosils for Dehydra-Decyclization of Tetrahydrofuran to Renewable Butadiene

What is the nature of the uranium(III)-arene bond?

Importance of Dispersion in the Molecular Geometries of Mn(III) Spin Crossover Complexes

Multifunctional Amine Modifiers for Selective Dehydration of Methyl Lactate to Acrylates

Molecular Geometry and Electronic Structure of Copper Corroles

Computational Spectroscopy of the Cr–Cr Bond in Coordination Complexes

12 results in Authors: Bess Vlaisavljevich