Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
A Transformer Model for Retrosynthesis
, Authors:
Pavel Karpov, Guillaume Godin, Igor Tetko
Posted
May 02, 2019
Category:
Organic Chemistry
,
Working Paper
, Title:
Synthesis of Idarubicinone via Global Functionalization of Tetracene
, Authors:
David G. Dennis, Mikiko Okumura, David Sarlah
Posted
May 02, 2019
Category:
Inorganic Chemistry
,
Working Paper
, Title:
To Bend or Not to Bend, the Dilemma of Multiple Bonds
, Authors:
Michele Pizzocchero, Matteo Bonfanti, Rocco Martinazzo
Posted
May 03, 2019
Category:
Inorganic Chemistry
,
Working Paper
, Title:
Magnetic Anisotropy in Divalent Lanthanide Complexes
, Authors:
Liviu Ungur, Liviu Chibotaru, Weibing Zhang, Almas Muhtadi
Posted
May 03, 2019
Category:
Organic Chemistry
,
Working Paper
, Title:
Converting SMILES to Stacking Interaction Energies
, Authors:
Andrea
N. Bootsma, Steven Wheeler
Posted
May 06, 2019
Category:
Organic Chemistry
,
Working Paper
, Title:
On the Relative Resonance-Acceptor Abilities of CN, NO, COMe, CHO and NO2 Groups
, Authors:
Veejendra Yadav, Arpita Yadav
Posted
May 06, 2019
Category:
Organic Chemistry
,
Working Paper
, Title:
The Suzuki−Miyaura Coupling of Aryl Sulfones
, Authors:
Paul Chatelain, Abhijit Sau, Christopher Rowley, Joseph Moran
Posted
May 07, 2019
Category:
Materials Science
,
Working Paper
, Title:
A Convenient Two-Step Synthesis of Coenzyme Q1
, Authors:
Yi-Yu Yan, Wan-Yue Luo, Yan Zhao, Jian-Hua Tian, Jin Wang
Posted
May 15, 2019
Category:
Physical Chemistry
,
Working Paper
, Title:
AMOEBA+ Classical Potential for Modeling Molecular Interactions
, Authors:
Chengwen Liu, Jean-Philip Piquemal, Pengyu Ren
Posted
May 15, 2019
Category:
Catalysis
,
Working Paper
, Title:
Utilizing Carbonyl-Coordination of Native Amides for Pd– catalyzed C(sp3)–H Olefination
, Authors:
Hojoon Park, Yang Li, jin-quan yu
Posted
May 16, 2019
Category:
Catalysis
,
Working Paper
, Title:
Energy Threshold for Chiral Symmetry Breaking in Molecular Self-Replication
, Authors:
Neil Hawbaker, Donna Blackmond
Posted
May 17, 2019
Category:
Organic Chemistry
,
Working Paper
, Title:
Desulfonylative Arylation of Redox-Active Alkyl Sulfones with Aryl Bromides
, Authors:
Jonathan Hughes, Patrick Fier
Posted
May 17, 2019
Category:
Organic Chemistry
,
Working Paper
, Title:
16-Step Synthesis of the Isoryanodane Diterpene (+)-Perseanol
, Authors:
Arthur Han, Yujia Tao, Sarah Reisman
Posted
May 21, 2019
Category:
Catalysis
,
Working Paper
, Title:
Copper-Catalyzed Benzylic C–H Coupling with Alcohols via Radical Relay
, Authors:
Huayou Hu, Si-Jie Chen, Shane Krska, Shannon Stahl
Posted
May 22, 2019
Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
A linear-scaling method for non-covalent interactions
, Authors:
Robert Shaw, Grant Hill
Posted
May 22, 2019
Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
Targeted Adversarial Learning Optimized Sampling
, Authors:
Jun Zhang, Yi Isaac Yang, Frank Noé
Posted
May 22, 2019
Category:
Polymer Science
,
Working Paper
, Title:
Self-Immolative Bottlebrush Polypentenamers and their Macromolecular Metamorphosis
, Authors:
William Neary, Justin Kennemur
Posted
May 23, 2019
Category:
Earth, Space, and Environmental Chemistry
,
Working Paper
, Title:
The Rattling and Rotation Behaviours of the Hydrated Excess Proton in Water
, Authors:
Shuping Bi
Posted
May 28, 2019
Category:
Physical Chemistry
,
Working Paper
, Title:
Interplay of Direct and Indirect Charge Transfer Pathways in Donor-Bridge-Acceptor Systems
, Authors:
Junjie Liu, Dvira Segal
Posted
May 28, 2019
Category:
Organic Chemistry
,
Working Paper
, Title:
Asymmetric Total Synthesis of Arcutinidine and Arcutinine
, Authors:
Shupeng Zhou, Kaifu Xia, Ang Li
Posted
May 30, 2019
Category:
Organic Chemistry
,
Working Paper
, Title:
11-Step Asymmetric Synthesis of (–)-Bilobalide
, Authors:
Meghan Baker, Robert Demoret, Masaki Ohtawa, Ryan Shenvi
Posted
May 30, 2019
Category:
Physical Chemistry
,
Working Paper
, Title:
Structure of Cellulose Isolated from Rapeseed (Brassica Napus L.) Stalks
, Authors:
Bogdan-Marian Tofanica, Emanuela Callone
Posted
May 31, 2019
Category:
Analytical Chemistry
,
Working Paper
, Title:
NADH in Solution: A Single State
, Authors:
Joachim Hönes, Julia Wack, Katja Schmitz
Posted
May 31, 2019
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