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Theoretical and Computational Chemistry

Working Paper

Thermodynamic Decomposition of Solvation Free Energies with Particle Mesh Ewald and Long-Range Lennard-Jones Interactions in Grid Inhomogeneous Solvation Theory

Lieyang Chen, Anthony Cruz, Daniel R. Roe, Andrew Simmonett, Lauren Wickstrom, Nanjie Deng, Tom Kurtzman

Version 2 posted 17 November 2020

528

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Materials Chemistry

Working Paper

Red Carbon: a Carbon-Oxygen-based covalent semiconductor for selective amine sensing

Paolo Giusto, Daniel Cruz, Yael Rodriguez, Regina Rothe, Nadezda Tarakina

Version 1 posted 16 December 2021

349

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Materials Chemistry

Working Paper

Flexible CO2 sensor architecture with selective nitrogen functionalities by one-step laser-induced conversion of versatile organic ink

Huize Wang, Charles Otieno Ogolla, Gyanendra Panchal, Marco Hepp, Simon Delacroix, Daniel Cruz, Danny Kojda, Jim Ciston, Colin Ophus, Axel Knop-Gericke, Klaus Habicht, Benjamin Butz, Volker Strauss

Version 1 posted 05 May 2022

224

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Organic Chemistry

Working Paper

Pentaminomycins F and G, First Non-Ribosomal Peptides Containing 2-Pyridylalanine

Daniel Carretero-Molina, Francisco Javier Ortiz-Lopez, Jesús Martín, Ignacio González, Marina Sánchez-Hidalgo, Fernando Román-Hurtado, Caridad Díaz, Mercedes de la Cruz, Olga Genilloud, Fernando Reyes

Version 1 posted 09 November 2020

501

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1

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Analytical Chemistry

Working Paper

Detection of a SARS-CoV-2 Sequence with Genosensors Using Data Analysis Based on Information Visualization and Machine Learning Techniques

Juliana Coatrini Soares, Andrey Coatrini Soares, Valquiria Cruz Rodrigues, Pedro Ramon Almeida Oiticica, Paulo Augusto Raymundo-Pereira, José L. Bott-Neto, Lorenzo Antonio Buscaglia, Lucas Daniel Chiba Castro, Lucas Correia Ribas, Leonardo Scabini, Laís Canniatti Brazaca, Daniel Souza Correa, Luiz Henrique Capparelli Mattoso, Maria Cristina Ferreira de Oliveira, André Ponce Leon Ferreira Carvalho, Emanuel Carrilho, Odemir Matinez Bruno, Matias Melendez, Osvaldo N. Oliveira Jr

Version 1 posted 14 December 2020

836

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Organic Chemistry

Working Paper

π-Radical Cascade to a Chiral Saddle-Shaped Peropyrene

Annika Bernhardt, Daniel Čavlović, Maximilian Mayländer, Olivier Blacque, Carlos Moreno Cruz, Sabine Richert, Michal Juríček

Version 2 posted 01 December 2023

604

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Catalysis

Working Paper

Ligand-Metal Charge Transfer Induced via Adjustment of Textural Properties Controls the Performance of Single-Atom Catalysts During Photocatalytic Degradation

Jiaxu Liu, Yajun Zou, Daniel Cruz, Aleksandr Savateev, Markus Antonietti, Gianvito Vilé

Version 2 posted 06 April 2021

585

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Biological and Medicinal Chemistry

Working Paper

An Online Repository of Solvation Thermodynamic and Structural Maps of SARS-CoV-2 Targets

Brian Olson, Anthony Cruz, Lieyang Chen, Mossa Ghattas, Yeonji Ji, Kunhui Huang, Daniel J. McKay, Tom Kurtzman

Version 1 posted 13 May 2020

695

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Energy

Working Paper

Green Light Photoelectrocatalysis with Sulfur-Doped Carbon Nitride: Using Triazole-Purpald for Enhanced Benzylamine Oxidation and Oxygen Evolution Reactions

Maria Jerigova, Yevheniia Markushyna, Ivo F. Teixeira, Bolortuya Badamdorj, Mark Isaacs, Daniel Cruz, Iver Lauermann, Miguel Ángel Muñoz-Márquez, Nadezda V. Tarakina, Nieves López-Salas, Oleksandr Savateev, Pablo Jiménez Calvo

Version 1 posted 30 August 2022

309

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Refine Search

9 results in Daniel Cruz in Authors: Daniel Cruz

Thermodynamic Decomposition of Solvation Free Energies with Particle Mesh Ewald and Long-Range Lennard-Jones Interactions in Grid Inhomogeneous Solvation Theory

Red Carbon: a Carbon-Oxygen-based covalent semiconductor for selective amine sensing

Flexible CO2 sensor architecture with selective nitrogen functionalities by one-step laser-induced conversion of versatile organic ink

Pentaminomycins F and G, First Non-Ribosomal Peptides Containing 2-Pyridylalanine

Detection of a SARS-CoV-2 Sequence with Genosensors Using Data Analysis Based on Information Visualization and Machine Learning Techniques

π-Radical Cascade to a Chiral Saddle-Shaped Peropyrene

Ligand-Metal Charge Transfer Induced via Adjustment of Textural Properties Controls the Performance of Single-Atom Catalysts During Photocatalytic Degradation

An Online Repository of Solvation Thermodynamic and Structural Maps of SARS-CoV-2 Targets

Green Light Photoelectrocatalysis with Sulfur-Doped Carbon Nitride: Using Triazole-Purpald for Enhanced Benzylamine Oxidation and Oxygen Evolution Reactions

9 results in Authors: Daniel Cruz