Archive | ChemRxiv | Cambridge Open Engage

Catalysis

Working Paper

Nickel(0)-Catalyzed Linear-Selective Hydroarylation of Unactivated Alkenes and Styrenes with Arylboron Acids

Honggui Lv, Li-Jun Xiao, Dongbing Zhao, Qi-Lin Zhou

Version undefined posted 01 May 2018

Posted

May 01, 2018

10.26434/chemrxiv.6198929.v1

Catalysis

Working Paper

Synthesis of carbonate esters by carboxymethylation using NaAlO2 as a highly active heterogeneous catalyst

Sreerangappa Ramesh, Kiran Indukuri, Olivier Riant, Damien Debecker

Version undefined posted 01 May 2018

Posted

May 01, 2018

10.26434/chemrxiv.6204173.v1

Analytical Chemistry

Working Paper

A Benchmarking Approach for Routine Determination of Flow Battery Kinetics

Tejal Sawant, James McKone

Version undefined posted 01 May 2018

Posted

May 01, 2018

10.26434/chemrxiv.6203297.v1

Inorganic Chemistry

Working Paper

Directing the Reactivity of Metal Hydrides for Selective CO2 Reduction

Bianca M. Ceballos, Jenny Yang

Version undefined posted 01 May 2018

Posted

May 01, 2018

10.26434/chemrxiv.6205322.v1

Physical Chemistry

Working Paper

A New Adsorption Rate Equation in Batch Systems

yongson hong, Kye-Ryong Sin, Jong-Su Pak, Chol-Min Pak

Version undefined posted 02 May 2018

Posted

May 02, 2018

10.26434/chemrxiv.6209984.v1

Materials Science

Working Paper

Exploring the “Goldilocks Zone” of Semiconducting Polymer Photocatalysts via Donor-Acceptor Interactions

Yaroslav S. Kochergin, Dana Schwarz, Amitava Acharjya, Arun Ichangi, Ranjit Kulkarni, Pavla Eliášová, Jaroslav Vacek, Johannes Schmidt, Arne Thomas, Michael J. Bojdys

Version undefined posted 02 May 2018

Posted

May 02, 2018

10.26434/chemrxiv.6210110.v1

Organometallic Chemistry

Working Paper

Catalytic Alkyne Arylation Using Amines as Traceless Directing Groups

Jung-Woo Park, Bubwoong Kang, Vy M. Dong

Version undefined posted 03 May 2018

Posted

May 03, 2018

10.26434/chemrxiv.6216116.v1

Organic Chemistry

Working Paper

Kinetically Guided Radical-Based Synthesis of C(sp3)-C(sp3) Linkages on DNA

Jie Wang, Helena Lundberg, Shota Asai, Pedro Martín-Acosta, Jason S. Chen, Stephen Brown, William Farrell, Russell Dushin, Christopher J. O’Donnell, Anohka S. Ratnayake, Paul Richardson, Zhiqing Liu, Tian Qin, Donna G. Blackmond, Phil Baran

Version undefined posted 03 May 2018

Posted

May 03, 2018

10.26434/chemrxiv.6213950.v1

Biological and Medicinal Chemistry

Working Paper

Challenges of Connecting Chemistry to Pharmacology: Perspectives from Curating the IUPHAR/BPS Guide to PHARMACOLOGY

Christopher Southan, Joanna L Sharman, Elena Faccenda, Adam J Pawson, Simon D Harding, Jamie A Davies

Version undefined posted 03 May 2018

Posted

May 03, 2018

10.26434/chemrxiv.6211115.v1

Organic Chemistry

Working Paper

Synthesis of 1,2,5,6- and 1,4,5,8-Anthracenetetrone: Building Blocks for π-Conjugated Small Molecules and Polymers

Florian Glöcklhofer, Berthold Stöger, Johannes Fröhlich

Version undefined posted 03 May 2018

Posted

May 03, 2018

10.26434/chemrxiv.6213701.v1

Materials Science

Working Paper

Aluminum Dihydride Complexes and their Unexpected Application in Atomic Layer Deposition of Titanium Carbonitride Films

Kyle J. Blakeney, Philip D. Martin, Charles H. Winter

Version undefined posted 03 May 2018

Posted

May 03, 2018

10.26434/chemrxiv.6213851.v1

Organometallic Chemistry

Working Paper

η^2 bonded Nickel(0) thiophene π-complexes - identifying the missing link in catalyst transfer polymerization

Weiying He, Brian O. Patrick, Pierre Kennepohl

Version undefined posted 03 May 2018

Posted

May 03, 2018

10.26434/chemrxiv.5758608.v2

Physical Chemistry

Working Paper

Imidazolium-Based Ionic Liquids Affect Morphology and Rigidity of Living Cells: an Atomic Force Microscopy Study

Massimiliano Galluzzi, Carsten Schulte, Paolo Milani, Alessandro Podestà

Version undefined posted 03 May 2018

Posted

May 03, 2018

10.26434/chemrxiv.6216383.v1

Catalysis

Working Paper

Photocatalytic Hydrogen Evolution from Water Using Heterocyclic Conjugated Microporous Polymers: Porous or Non-Porous?

Reiner Sebastian Sprick, Yang Bai, Catherine M. Aitchison, Duncan J. Woods, Andrew I. Cooper

Version undefined posted 04 May 2018

Posted

May 04, 2018

10.26434/chemrxiv.6217451.v1

Biological and Medicinal Chemistry

Working Paper

Determinants of Substrate Specificity in APOBEC3B

Jeffrey Wagner, Özlem Demir, Michael A. Carpenter, Hideki Aihara, Daniel A. Harki, Reuben S. Harris, Rommie E. Amaro

Version undefined posted 04 May 2018

Posted

May 04, 2018

10.26434/chemrxiv.6217427.v1

Theoretical and Computational Chemistry

Working Paper

Machine Learning Enabled Capacitance Prediction for Carbon-Based Supercapacitors

Shan Zhu, Jiajun Li, Liying Ma, Chunnian He, Enzuo Liu, Fang He, Chunsheng Shi, Naiqin Zhao

Version undefined posted 07 May 2018

Posted

May 07, 2018

10.26434/chemrxiv.6222221.v2

Theoretical and Computational Chemistry

Working Paper

Large-scale QM/MM free energy simulations of enzyme catalysis reveal the influence of charge transfer

Heather Kulik

Version undefined posted 07 May 2018

Posted

May 07, 2018

10.26434/chemrxiv.5985187.v2

Materials Science

Working Paper

Quantitative Image Analysis of Fractal-like Thin Films of Organic Semiconductors

Weikun Zhu, Erfan Mohammadi, Ying Diao

Version undefined posted 07 May 2018

Posted

May 07, 2018

10.26434/chemrxiv.6223610.v1

Physical Chemistry

Working Paper

Isomeric Equilibria, Nuclear Quantum Effects, and Vibrational Spectra of M+(H2O)n=1−3 Clusters, with M = Li, Na, K, Rb, and Cs, Through Many-Body Representations

Marc Riera, Sandra E. Brown, Paesani Lab

Version undefined posted 07 May 2018

Posted

May 07, 2018

10.26434/chemrxiv.6223694.v1

Polymer Science

Working Paper

Synthesis and Assembly of Designer Styrenic Diblock Polyelectrolytes

Jeffrey Ting, Hao Wu, Abraham Herzog-Arbeitman, Samanvaya Srivastava, Matthew V. Tirrell

Version undefined posted 07 May 2018

Posted

May 07, 2018

10.26434/chemrxiv.6223760.v1

Polymer Science

Working Paper

Antimicrobial Chitosan-G-poly(AMPS-Co-AA-Co-AM)/Ground Basalt Composite Hydrogel: Synthesis and Characterization

Majd said, yomen atassi, Mohammad Tally, Maissa Kattan, Lamia Kouba

Version undefined posted 09 May 2018

Posted

May 09, 2018

10.26434/chemrxiv.6233393.v2

Theoretical and Computational Chemistry

Working Paper

Catalytic Reaction Mechanism in Native and Mutant COMT from the Adaptive String Method and Mean Reaction Force Analysis.

David Adrian Saez, Kirill Zinovjev, Iñaki Tuñon, Esteban Vöhringer-Martinez

Version undefined posted 10 May 2018

Posted

May 10, 2018

10.26434/chemrxiv.6238526.v1

Physical Chemistry

Working Paper

Challenges of the Use of Atomistic Simulations to Predict Solubilities of Drug-like Molecules

Guilherme Duarte Ramos Matos, David Mobley

Version undefined posted 10 May 2018

Posted

May 10, 2018

10.26434/chemrxiv.6241946.v1

Biological and Medicinal Chemistry

Working Paper

Nitroxyl Modified Tobacco Mosaic Virus as a Metal-Free High-Relaxivity MRI and EPR Active Superoxide Sensor

Madushani Dharmarwardana, André F. Martins, Zhuo Chen, Philip M. Palacios, Chance M. Nowak, Raymond P. Welch, Shaobo Li, Michael A. Luzuriaga, Leonidas Bleris, Brad S. Pierce, A. Dean Sherry, Jeremiah J. Gassensmith

Version undefined posted 10 May 2018

Posted

May 10, 2018

10.26434/chemrxiv.6241913.v1

Physical Chemistry

Working Paper

X-ray Absorption Spectral Signature of Quantum Nuclei in Liquid Water

Zhaoru Sun, Lixin Zheng, Mohan Chen, Michael L. Klein, Paesani Lab, Xifan Wu

Version undefined posted 10 May 2018

Posted

May 10, 2018

10.26434/chemrxiv.6242030.v1

Physical Chemistry

Working Paper

Probing the Mechanochemistry of Metal-Organic Frameworks with Low-Frequency Vibrational Spectroscopy

Wei Zhang, Jefferson Maul, Diana Vulpe, Peyman Z. Moghadam, David Fairen-jimenez, Daniel M. Mittleman, J. Axel Zeitler, Alessandro Erba, Michael Ruggiero

Version undefined posted 10 May 2018

Posted

May 10, 2018

10.26434/chemrxiv.6244892.v1

Biological and Medicinal Chemistry

Working Paper

Hybrid Particle-Field Molecular Dynamics Simulations of Charged Amphiphiles in Aqueous Environment

Hima Bindu Kolli, Antonio de Nicola, Sigbjørn Løland Bore, Ken Schäfer, Gregor Diezemann, Jürgen Gauss, Toshihiro Kawakatsu, Zhong-Yuan Lu, You-Liang Zhu, Giuseppe Milano, Michele Cascella

Version undefined posted 14 May 2018

Posted

May 14, 2018

10.26434/chemrxiv.6264644.v1

Organic Chemistry

Working Paper

Expanding the Chemical Space of Biocompatible Fluorophores: Nanohoops in Cells

Brittany White, Yu Zhao, Taryn E. Kawashima, Bruce B. Branchaud, Michael D. Pluth, Ramesh Jasti

Version undefined posted 14 May 2018

Posted

May 14, 2018

10.26434/chemrxiv.6261884.v1

Organic Chemistry

Working Paper

N-Acylation of Oxazolidinones via Aerobic Oxidative NHC Catalysis

Linda Ta, Anton Axelsson, Henrik Sundén

Version undefined posted 15 May 2018

Posted

May 15, 2018

10.26434/chemrxiv.6265148.v1

Biological and Medicinal Chemistry

Working Paper

The Metalloid Reductase of Pseudomonas Moravenis Stanleyae Conveys Nanoparticle Mediated Metalloid Tolerance

Richard Nemeth, Mackenzie Neubert, Thomas Ni, Christopher J. Ackerson

Version undefined posted 15 May 2018

Posted

May 15, 2018

10.26434/chemrxiv.6267383.v1

Organic Chemistry

Working Paper

Ring-Opening Hydroarylation of Monosubstituted Cyclopropanes Enabled by Hexafluoroisopropanol

Edward Richmond, Jing Yi, Vuk D. Vuković, Fatima Sajadi, Christopher Rowley, Joseph Moran

Version undefined posted 16 May 2018

Posted

May 16, 2018

10.26434/chemrxiv.6265499.v1

Energy

Working Paper

Conditioning–Free Electrolytes for Magnesium Batteries Using Sulfone–Ether Mixtures with Increased Thermal Stability

Laura C. Merrill, Jennifer Schaefer

Version undefined posted 16 May 2018

Posted

May 16, 2018

10.26434/chemrxiv.6272579.v1

Catalysis

Working Paper

On the Lack of Beneficial Role of Rh Towards C-C Bond Cleavage During Low Temperature Ethanol Electrooxidation on Pt-Rh Nanoalloys

Justyna Piwowar, Adam Lewera

Version undefined posted 18 May 2018

Posted

May 18, 2018

10.26434/chemrxiv.6281264.v1

Inorganic Chemistry

Working Paper

Two Consecutive Magneto-Structural Gas-Solid Transformations with Single-Crystal Retention in Non-Porous Molecular Materials

Julia Miguel-Donet, Javier López-Cabrelles, Nestor Calvo Galve, Eugenio Coronado, Guillermo Minguez Espallargas

Version undefined posted 21 May 2018

Posted

May 21, 2018

10.26434/chemrxiv.6291671.v1

Theoretical and Computational Chemistry

Working Paper

Structure and Dynamics of Water Confined in Imogolite Nanotubes

Laura Scalfi, Guillaume Fraux, Anne Boutin, François-Xavier Coudert

Version undefined posted 21 May 2018

Posted

May 21, 2018

10.26434/chemrxiv.6287810.v1

Physical Chemistry

Working Paper

Maxwell’s Equations versus Newton’s Third Law

Glyn Kennell, Richard Evitts

Version undefined posted 22 May 2018

Posted

May 22, 2018

10.26434/chemrxiv.6297185.v1

Polymer Science

Working Paper

Effect of High Salt Concentration on Ion Clustering and Transport in Polymer Solid Electrolytes: a Molecular Dynamics Study of PEO-LiTFSI

Nicola Molinari, Jonathan P. Mailoa, Boris Kozinsky

Version undefined posted 22 May 2018

Posted

May 22, 2018

10.26434/chemrxiv.6294941.v1

Inorganic Chemistry

Working Paper

Non-Equilibrium Crystallization Pathways of Manganese Oxides in Aqueous Solution

Wenhao Sun, Daniil A. Kitchaev, Denis Kramer, Gerbrand Ceder

Version undefined posted 22 May 2018

Posted

May 22, 2018

10.26434/chemrxiv.6300959.v1

Inorganic Chemistry

Working Paper

Two Faces of Hydrogen in Yttrium Hydroxyhydride: Y2H3O(OH) – a New Inorganic Chiral System with Hydridic and Protonic Hydrogens

Aleksandr Pishtshev, Evgenii Strugovshchikov, Smagul Karazhanov

Version undefined posted 22 May 2018

Posted

May 22, 2018

10.26434/chemrxiv.6301571.v1

Physical Chemistry

Working Paper

Is Lewis Acidity in Metal Dications Triggered by Solvent Shell Fluctuations?

Tony Stace

Version undefined posted 23 May 2018

Posted

May 23, 2018

10.26434/chemrxiv.6303710.v1

Catalysis

Working Paper

Achilles' heel of Iron-Based Catalysts During Oxygen Reduction in Acidic Medium

Chang Hyuck Choi, Hyung-Kyu Lim, Gajeon Chon, Min Wook Chung, Abdulrahman Altin, Nastaran Ranjbar Sahraie, Moulay-Tahar Sougrati, Lorenzo Stievano, Hyun Seok Oh, Eun Soo Park, Fang Luo, Peter Strasser, Goran Drazic, Karl J. J. Mayrhofer, Hyungjun Kim, Frederic Jaouen

Version undefined posted 23 May 2018

Posted

May 23, 2018

10.26434/chemrxiv.6304460.v1

Theoretical and Computational Chemistry

Working Paper

Algorithmic Analysis of Cahn-Ingold-Prelog Rules of Stereochemistry: Proposals for Revised Rules and a Guide for Machine Implementation

Robert M. Hanson, John Mayfield, Mikko J. Vainio, Andrey Yerin, Dmitry Redkin, Sophia Musacchio

Version undefined posted 25 May 2018

Posted

May 25, 2018

10.26434/chemrxiv.6342881.v1

Organic Chemistry

Working Paper

Generation of Phosphoranyl Radicals via Photoredox Catalysis Enables Voltage–Independent Activation of Strong C–O Bonds

Erin Stache, Alyssa B. Ertel, Tomislav Rovis, Abigail G. Doyle

Version undefined posted 25 May 2018

Posted

May 25, 2018

10.26434/chemrxiv.6349253.v1

Inorganic Chemistry

Working Paper

Compositional Inhomogeneity and Tuneable Thermal Expansion in Mixed-Metal ZIF-8 Analogues

Adam Sapnik, Harry Geddes, Emily Reynolds, Hamish Yeung, Andrew Goodwin

Version undefined posted 25 May 2018

Posted

May 25, 2018

10.26434/chemrxiv.6355802.v1

Physical Chemistry

Working Paper

The Optical Properties of Monoclinic Na3AlF6 and Na3AlF6:Mn4+

Thomas Jansen, David Böhnisch, Florian Baur, Thomas Jüstel

Version undefined posted 29 May 2018

Posted

May 29, 2018

10.26434/chemrxiv.6356564.v1

Biological and Medicinal Chemistry

Working Paper

Single Amino Acid Based Self-Assemblies of Cysteine and Methionine

Nidhi Gour, Bharti Koshti, Chandra Kanth P., Dhruvi Shah, Vivek Shinh Kshatriya, Reena Agrawal-Rajput, Manoj Pandey

Version undefined posted 29 May 2018

Posted

May 29, 2018

10.26434/chemrxiv.5972173.v3

Organic Chemistry

Working Paper

Revision of the crystal structure of “‘bis glycine’ squarate” [Tyagi et al., RSC Adv., 2016, 6, 24565]

Rüdiger W. Seidel

Version undefined posted 29 May 2018

Posted

May 29, 2018

10.26434/chemrxiv.6376928.v1

Theoretical and Computational Chemistry

Working Paper

Tuning Transition Metal Carbides Activity by Surface Metal Alloying: Case Study on CO2 Capture and Activation

Marti Lopez, Luke Broderick, John J Carey, Francesc Vines, Michael Nolan, Francesc Illas

Version undefined posted 29 May 2018

Posted

May 29, 2018

10.26434/chemrxiv.6377330.v1

Theoretical and Computational Chemistry

Working Paper

Porous Aluminophosphates as Adsorbents for the Separation of CO2/CH4 and CH4/N2 Mixtures – a Monte Carlo Simulation Study

Michael Fischer

Version undefined posted 29 May 2018

Posted

May 29, 2018

10.26434/chemrxiv.6133346.v2

Analytical Chemistry

Working Paper

The Dynamics of a Molecular Plug Docked onto a Solid-State Nanopore

Xin Shi, Qiao Li, Rui Gao, Wei Si, Shao-Chuang Liu, Aleksei Aksimentiev, Yi-Tao Long

Version undefined posted 30 May 2018

Posted

May 30, 2018

10.26434/chemrxiv.6383213.v1

Physical Chemistry

Working Paper

Self-Assembly of α-Tocopherol Transfer Protein Nanoparticles – a Patchy-Protein Model

Raphael M. Peltzer, Hima Bindu Kolli, Achim Stocker, Michele Cascella

Version undefined posted 30 May 2018

Posted

May 30, 2018

10.26434/chemrxiv.6384065.v1

Physical Chemistry

Working Paper

First Principles Mechanistic Study of Self-Limiting Oxidative Adsorption of Remote Oxygen Plasma During the Atomic Layer Deposition of Alumina

Glen N. Fomengia, Michael Nolan, Simon D. Elliott

Version undefined posted 30 May 2018

Posted

May 30, 2018

10.26434/chemrxiv.6377372.v1

Earth, Space, and Environmental Chemistry

Working Paper

The Potential of Photoelectrochemical Carbon Sinks

Matthias May, Kira Rehfeld

Version undefined posted 30 May 2018

Posted

May 30, 2018

10.26434/chemrxiv.6231140.v2

Organic Chemistry

Working Paper

Synthesis of a Novel Bicyclic Scaffold Inspired by the Antifungal Natural Product Sordarin

Yibiao Wu, Chris Dockendorff

Version undefined posted 31 May 2018

Posted

May 31, 2018

10.26434/chemrxiv.6394409.v1

Analytical Chemistry

Working Paper

The Hidden Transition Paths During the Unfolding of Individual Peptides with a Confined Nanopore

Yi-Lun Ying, Shao-Chuang Liu, Xin Shi, Wei-hua Li, Yong-jing Wan, Yi-Tao Long

Version undefined posted 31 May 2018

Posted

May 31, 2018

10.26434/chemrxiv.6394925.v1

Archive May 2018

Nickel(0)-Catalyzed Linear-Selective Hydroarylation of Unactivated Alkenes and Styrenes with Arylboron Acids

Synthesis of carbonate esters by carboxymethylation using NaAlO2 as a highly active heterogeneous catalyst

A Benchmarking Approach for Routine Determination of Flow Battery Kinetics

Directing the Reactivity of Metal Hydrides for Selective CO2 Reduction

A New Adsorption Rate Equation in Batch Systems

Exploring the “Goldilocks Zone” of Semiconducting Polymer Photocatalysts via Donor-Acceptor Interactions

Catalytic Alkyne Arylation Using Amines as Traceless Directing Groups

Kinetically Guided Radical-Based Synthesis of C(sp3)-C(sp3) Linkages on DNA

Challenges of Connecting Chemistry to Pharmacology: Perspectives from Curating the IUPHAR/BPS Guide to PHARMACOLOGY

Synthesis of 1,2,5,6- and 1,4,5,8-Anthracenetetrone: Building Blocks for π-Conjugated Small Molecules and Polymers

Aluminum Dihydride Complexes and their Unexpected Application in Atomic Layer Deposition of Titanium Carbonitride Films

η^2 bonded Nickel(0) thiophene π-complexes - identifying the missing link in catalyst transfer polymerization

Imidazolium-Based Ionic Liquids Affect Morphology and Rigidity of Living Cells: an Atomic Force Microscopy Study

Photocatalytic Hydrogen Evolution from Water Using Heterocyclic Conjugated Microporous Polymers: Porous or Non-Porous?

Determinants of Substrate Specificity in APOBEC3B

Machine Learning Enabled Capacitance Prediction for Carbon-Based Supercapacitors

Large-scale QM/MM free energy simulations of enzyme catalysis reveal the influence of charge transfer

Quantitative Image Analysis of Fractal-like Thin Films of Organic Semiconductors

Isomeric Equilibria, Nuclear Quantum Effects, and Vibrational Spectra of M+(H2O)n=1−3 Clusters, with M = Li, Na, K, Rb, and Cs, Through Many-Body Representations

Synthesis and Assembly of Designer Styrenic Diblock Polyelectrolytes

Antimicrobial Chitosan-G-poly(AMPS-Co-AA-Co-AM)/Ground Basalt Composite Hydrogel: Synthesis and Characterization

Catalytic Reaction Mechanism in Native and Mutant COMT from the Adaptive String Method and Mean Reaction Force Analysis.

Challenges of the Use of Atomistic Simulations to Predict Solubilities of Drug-like Molecules

Nitroxyl Modified Tobacco Mosaic Virus as a Metal-Free High-Relaxivity MRI and EPR Active Superoxide Sensor

X-ray Absorption Spectral Signature of Quantum Nuclei in Liquid Water

Probing the Mechanochemistry of Metal-Organic Frameworks with Low-Frequency Vibrational Spectroscopy

Hybrid Particle-Field Molecular Dynamics Simulations of Charged Amphiphiles in Aqueous Environment

Expanding the Chemical Space of Biocompatible Fluorophores: Nanohoops in Cells

N-Acylation of Oxazolidinones via Aerobic Oxidative NHC Catalysis

The Metalloid Reductase of Pseudomonas Moravenis Stanleyae Conveys Nanoparticle Mediated Metalloid Tolerance

Ring-Opening Hydroarylation of Monosubstituted Cyclopropanes Enabled by Hexafluoroisopropanol

Conditioning–Free Electrolytes for Magnesium Batteries Using Sulfone–Ether Mixtures with Increased Thermal Stability

On the Lack of Beneficial Role of Rh Towards C-C Bond Cleavage During Low Temperature Ethanol Electrooxidation on Pt-Rh Nanoalloys

Two Consecutive Magneto-Structural Gas-Solid Transformations with Single-Crystal Retention in Non-Porous Molecular Materials

Structure and Dynamics of Water Confined in Imogolite Nanotubes

Maxwell’s Equations versus Newton’s Third Law

Effect of High Salt Concentration on Ion Clustering and Transport in Polymer Solid Electrolytes: a Molecular Dynamics Study of PEO-LiTFSI

Non-Equilibrium Crystallization Pathways of Manganese Oxides in Aqueous Solution

Two Faces of Hydrogen in Yttrium Hydroxyhydride: Y2H3O(OH) – a New Inorganic Chiral System with Hydridic and Protonic Hydrogens

Is Lewis Acidity in Metal Dications Triggered by Solvent Shell Fluctuations?

Achilles' heel of Iron-Based Catalysts During Oxygen Reduction in Acidic Medium

Algorithmic Analysis of Cahn-Ingold-Prelog Rules of Stereochemistry: Proposals for Revised Rules and a Guide for Machine Implementation

Generation of Phosphoranyl Radicals via Photoredox Catalysis Enables Voltage–Independent Activation of Strong C–O Bonds

Compositional Inhomogeneity and Tuneable Thermal Expansion in Mixed-Metal ZIF-8 Analogues

The Optical Properties of Monoclinic Na3AlF6 and Na3AlF6:Mn4+

Single Amino Acid Based Self-Assemblies of Cysteine and Methionine

Revision of the crystal structure of “‘bis glycine’ squarate” [Tyagi et al., RSC Adv., 2016, 6, 24565]

Tuning Transition Metal Carbides Activity by Surface Metal Alloying: Case Study on CO2 Capture and Activation

Porous Aluminophosphates as Adsorbents for the Separation of CO2/CH4 and CH4/N2 Mixtures – a Monte Carlo Simulation Study

The Dynamics of a Molecular Plug Docked onto a Solid-State Nanopore

Self-Assembly of α-Tocopherol Transfer Protein Nanoparticles – a Patchy-Protein Model

First Principles Mechanistic Study of Self-Limiting Oxidative Adsorption of Remote Oxygen Plasma During the Atomic Layer Deposition of Alumina

The Potential of Photoelectrochemical Carbon Sinks

Synthesis of a Novel Bicyclic Scaffold Inspired by the Antifungal Natural Product Sordarin

The Hidden Transition Paths During the Unfolding of Individual Peptides with a Confined Nanopore