Category:
Inorganic Chemistry
,
Working Paper
, Title:
A Free Phosphaborene Stable at Room Temperature
, Authors:
Jiancheng Li, Zhihao Lu, Liu Leo Liu
Posted
Dec 01, 2022
Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
Charge Transport: Paths and Energy Profiles
, Authors:
Ibrahim Maqboul
Posted
Dec 01, 2022
Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
Revisit on the assignment of electronic spectra of C11H9 +isomers
, Authors:
Junfeng Li, Ningning Li
Posted
Dec 01, 2022
Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
Origins of Offset-Stacking in Porous Frameworks
, Authors:
Montgomery Gray, John Herbert
Posted
Dec 01, 2022
Category:
Physical Chemistry
,
Working Paper
, Title:
Why the Reaction Order of a Bimolecular Reaction Should be 2.33 Instead of 2?
, Authors:
Jixin Chen
Posted
Dec 01, 2022
Category:
Analytical Chemistry
,
Review
, Title:
Basic principle of soft ionization mass spectrometry and development of ion source
, Authors:
jiehong luo
Posted
Dec 02, 2022
Category:
Polymer Science
,
Working Paper
, Title:
Electrochemically Triggered Hole-catalytic Reaction at a Polymer Chain
, Authors:
Rumi Izumiya, Mahito Atobe, Naoki Shida
Posted
Dec 02, 2022
Category:
Catalysis
,
Working Paper
, Title:
Acyl Azolium-Photoredox Enabled Synthesis of -Keto Sulfides
, Authors:
Karl Scheidt, Michael Rourke, Charles Wang, Cullen Schull
Posted
Dec 05, 2022
Category:
Physical Chemistry
,
Working Paper
, Title:
Global potential energy surface and dynamics for the OH + CH3OH reaction
, Authors:
Joaquin Espinosa-Garcia, Cipriano Rangel
Posted
Dec 06, 2022
Category:
Physical Chemistry
,
Working Paper
, Title:
Effect of water deuteration on protein electron transfer
, Authors:
Setare Sarhangi, Dmitry Matyushov
Posted
Dec 06, 2022
Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
Origin Invariant Molecular Orbital Decomposition of Optical Rotation
, Authors:
Ty Balduf, Marco Caricato
Posted
Dec 06, 2022
Category:
Nanoscience
,
Working Paper
, Title:
Theoretical Studies of Silver Clusters
, Authors:
Jennifer Yukna, Lichang Wang
Posted
Dec 07, 2022
Category:
Materials Chemistry
,
Working Paper
, Title:
Aromaticity-driven singlet-triplet inversions
, Authors:
J. Terence Blaskovits, Marc H. Garner, Clemence Corminboeuf
Posted
Dec 08, 2022
Category:
Materials Chemistry
,
Working Paper
, Title:
Boron-Based Chromophores As Effective Moieties In Optoelectronic Devices
, Authors:
Pelin Ulukan, Antonio Monari, Saron Catak
Posted
Dec 08, 2022
Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
Central role of entropy in thermodynamics
, Authors:
Mohsen Farshad
Posted
Dec 08, 2022
Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
Degrees of freedom and emergent of force
, Authors:
Mohsen Farshad
Posted
Dec 08, 2022
Category:
Materials Science
,
Working Paper
, Title:
Paper Powered Pharmaceutical Manufacturing
, Authors:
Josselyn Mata Calidonio, Jose Gomez-Marquez, Kimberly Hamad-Schifferli
Posted
Dec 08, 2022
Category:
Materials Chemistry
,
Working Paper
, Title:
Computational Material Database of Free-Standing 2D Perovskites
, Authors:
Jack Yang, Sean Li
Posted
Dec 09, 2022
Category:
Organic Chemistry
,
Working Paper
, Title:
Photocatalytic Cross-Pinacol Coupling
, Authors:
Shintaro Okumura, Teruki Takahashi, Kaoru Torii, Yasuhiro Uozumi
Posted
Dec 09, 2022
Category:
Physical Chemistry
,
Working Paper
, Title:
Optical tactile sensor using scattering inside sol–gel-derived flexible macroporous monoliths
, Authors:
Gen Hayase
Posted
Dec 09, 2022
Category:
Biological and Medicinal Chemistry
,
Working Paper
, Title:
The μ opioid receptor crystal structure with BU72 is a covalent adduct
, Authors:
Thomas A. Munro
Posted
Dec 12, 2022
Category:
Analytical Chemistry
,
Working Paper
, Title:
AI-assisted reaction impurity prediction and inverse structure elucidation
, Authors:
Somesh Mohapatra, Daniel Griffin
Posted
Dec 12, 2022
Category:
Catalysis
,
Working Paper
, Title:
Constructing four-membered heterocycles by cycloisomerization
, Authors:
Ayami Osato, Takashi Fujihara, Hiroki Shigehisa
Posted
Dec 12, 2022
Category:
Materials Science
,
Working Paper
, Title:
Direct CO2 Activation and Conversion to Ethanol via Reactive Oxygen Species
, Authors:
Alina Meindl, Mathias Senge
Posted
Dec 12, 2022
Category:
Nanoscience
,
Working Paper
, Title:
Self-regulatory Enzyme-actuated Macroscale Patterning of ATP-loaded Nanoparticle
, Authors:
Ekta Shandilya, Subhabrata Maiti
Posted
Dec 12, 2022
Category:
Polymer Science
,
Review
, Title:
Editing of Polymer Backbones
, Authors:
Aleksandr Zhukhovitskiy, Rachael Ditzler, Andrew King, Sydney Towell, Maxim Ratushnyy
Posted
Dec 12, 2022
Category:
Materials Science
,
Review
, Title:
Biochar for Shape Stabilized Phase-Change Materials
, Authors:
Amelia Carolina Sparavigna
Posted
Dec 13, 2022
Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
Exciton states of azobenzene aggregates: A first-principles study
, Authors:
Evgenii Titov, Alkit Beqiraj
Posted
Dec 13, 2022
Category:
Catalysis
,
Working Paper
, Title:
The iron-catalysed Suzuki coupling of aryl chlorides
, Authors:
Benjamin Rowsell, Harry O'Brien, Johannes Krieger, Robin Bedford
Posted
Dec 14, 2022
Category:
Physical Chemistry
,
Working Paper
, Title:
Satellite-transition double cross-polarization HETCOR under fast MAS
, Authors:
Ivan Hung, Zhehong Gan
Posted
Dec 14, 2022
Category:
Polymer Science
,
Working Paper
, Title:
Calculation of number-average functionality and gel-point for stepwise polymerization
, Authors:
Hui Deng, Yan Han
Posted
Dec 14, 2022
Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
Graph neural networks for prediction of protein isoelectric points
, Authors:
Tom Brenner
Posted
Dec 16, 2022
Category:
Organic Chemistry
,
Working Paper
, Title:
Benzylic C-H Arylation with Dicyanoarenes via Convergent Paired-Electrolysis
, Authors:
Shanyu Tang, Guillaume Vincent
Posted
Dec 20, 2022