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Modular Total Synthesis of the 5/5-Spirocyclic Spiroindimicins

Ankush Banerjee, Tiffany Brisco, Sneha Ray, Arani Datta, Xiaoyu Zhang, Zhen Zhang, Alexander Busse, Hanspeter Niederstrasser, Krissty Sumida, Bruce Posner, Dawn Wetzel, Margaret Phillips, Myles Smith

Version 1 posted 17 August 2023

744

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1

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Energy

Working Paper

Ageing of High Energy Density Automotive Li-ion Batteries: The Effect of Temperature and State-of-Charge

Anastasiia Mikheenkova, Alexander J. Smith, Kristian B. Frenander, Yonas Tesfamhret, Niladri Roy Chowdhury, Cheuk-Wai Tai, Torbjörn Thiringer, Rakel Wreland Lindström, Maria Hahlin, Matthew J. Lacey

Version 1 posted 26 April 2023

1,458

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Materials Science

Working Paper

Convolutional Network Analysis of Optical Micrographs

Alexander Smith, Nicholas L. Abbott, Victor M. Zavala

Version 2 posted 03 March 2020

795

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Theoretical and Computational Chemistry

Working Paper

Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development

Daniel Smith, Lori A Burns, Dominic A. Sirianni, Daniel R. Nascimento, Ashutosh Kumar, Andrew M. James, Jeffrey B. Schriber, Tianyuan Zhang, Boyi Zhang, Adam S. Abbott, Eric Berquist, Marvin H. Lechner, Leonardo dos Anjos Cunha, Alexander G. Heide, Rollin A. King, Andrew C. Simmonett, Justin M. Turney, Henry F. Schaefer, Francesco A. Evangelista, A. Eugene DePrince, T. Daniel Crawford, Konrad Patkowski, C. David Sherrill

Version 1 posted 03 January 2018

1,825

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Psi4 1.4: Open-Source Software for High-Throughput Quantum Chemistry

Daniel Smith, Lori Burns, Andrew Simmonett, Robert Parrish, Matthew Schieber, Raimondas Galvelis, Peter Kraus, Holger Kruse, Roberto Di Remigio, Asem Alenaizan, Andrew James, Susi Lehtola, Jonathon Misiewicz, Maximilian Scheurer, Robert Shaw, Jeffrey Schriber, Yi Xie, Zachary Glick, Dominic Sirianni, Joseph O'Brien, Jonathan Waldrop, Ashutosh Kumar, Edward G. Hohenstein, Benjamin Pritchard, Bernard Brooks, Henry Schaefer, Alexander Sokolov, Konrad Patkowski, Eugene DePrince, Ugur Bozkaya, Rollin King, Francesco Evangelista, Justin Turney, Thomas Crawford, David Sherrill

Version 1 posted 05 March 2020

1,767

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4

Citations

Analytical Chemistry

Working Paper

Unambiguous Identification of Key Molecular Species in Deposits Responsible for Increased Pollution from Internal Combustion Engines

Max K. Edney, Joseph S. Lamb, Matteo Spanu, Emily F. Smith, Elisabeth Steer, Edward Wilmot, Jacqueline Reid, Jim Barker, Morgan R. Alexander, Colin E. Snape, David J. Scurr

Version 1 posted 20 July 2020

321

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Biological and Medicinal Chemistry

Working Paper

Rational design and development of selective BRD7 bromodomain inhibitors and their activity in prostate cancer

Sandra Ordonez, Chad Maschinot, Sijie Wang, Surbhi Sood, Brayden Strohmier, Alexander McQuade, Brian Smith, Emily Dykhuizen

Version 1 posted 13 April 2023

332

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Theoretical and Computational Chemistry

Working Paper

Assessing the Accuracy of Density Functional Approximations for Predicting Hydrolysis Reaction Kinetics

Alexander R. Epstein, Evan Walter Clark Spotte-Smith, Maxwell C. Venetos, Oxana Andriuc, Kristin A. Persson

Version 1 posted 10 February 2023

324

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1

Citations

Energy

Working Paper

Evaluating performance and cycle life improvements in the latest generations of prismatic lithium-ion batteries

Pontus Svens, Jens Groot, Alexander Smith, Matthew Lacey, Rakel Wreland Lindström, Göran Lindbergh

Version 1 posted 14 July 2021

1,979

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Chemical Engineering and Industrial Chemistry

Working Paper

Topological Analysis of Molecular Dynamics Simulations using the Euler Characteristic

Alexander Smith, Spencer Runde, Alex Chew, Atharva Kelkar, Utkarsh Maheshwari, Reid Van Lehn, Victor Zavala

Version 2 posted 01 November 2022

1,066

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17 results in Alexander Smith in Authors: Alexander Smith

Modular Total Synthesis of the 5/5-Spirocyclic Spiroindimicins

Ageing of High Energy Density Automotive Li-ion Batteries: The Effect of Temperature and State-of-Charge

Convolutional Network Analysis of Optical Micrographs

Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development

Psi4 1.4: Open-Source Software for High-Throughput Quantum Chemistry

Unambiguous Identification of Key Molecular Species in Deposits Responsible for Increased Pollution from Internal Combustion Engines

Rational design and development of selective BRD7 bromodomain inhibitors and their activity in prostate cancer

Assessing the Accuracy of Density Functional Approximations for Predicting Hydrolysis Reaction Kinetics

Evaluating performance and cycle life improvements in the latest generations of prismatic lithium-ion batteries

Topological Analysis of Molecular Dynamics Simulations using the Euler Characteristic

17 results in Authors: Alexander Smith