Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00039K, Paper

Erika Magnusson, Aaron Fitzpatrick, Stefan Knecht, Martin Rahm, Werner Dobrautz
The near-term utility of quantum computers is hindered by hardware constraints in the form of noise. One path to achieving noise resilience in hybrid quantum algorithms is to decrease the...
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Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00038B, Paper

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Anusha Pradhan, Shoma Nishimura, Yasuyuki Kondo, Tomoaki Kaneko, Yu Katayama, Keitaro Sodeyama, Yuki Yamada
Lithium (Li) metal negative electrodes have enticed a wide attention for high-energy-density batteries. However, its low Coulombic efficiency (CE) due to parasitic electrolyte reduction has been an alarming concern. Concentrated...
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Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00059E, Paper

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Damiano Aliverti-Piuri, Kaustav Chatterjee, Lexin Ding, Ke Liao, Julia Liebert, Christian Schilling
It is the ultimate goal of this work to foster synergy between quantum chemistry and the flourishing field of quantum information theory. For this, we first translate quantum information concepts...
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Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D3FD00181D, Paper

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Nadia Balucani, Gianmarco Vanuzzo, Pedro Recio, Adriana Caracciolo, Marzio Rosi, Carlo Cavallotti, Alberto Baggioli, Andrea Della Libera, Piergiorgio Casavecchia
Despite extensive experimental and theoretical studies on the kinetics of the O(3P) + C7H8 (toluene) reaction and a pioneering crossed molecular beam (CMB) investigation, the branching fractions (BFs) of the...
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Faraday Discuss., 2024, Advance Article
DOI: 10.1039/D4FD90008A, Discussion

Catherine M. Aitchison, Ken Albrecht, Kunio Awaga, Katrina Bergmann, Joaquín Calbo, Joseph Cameron, Jenny Clark, Miles Collins, Przemyslaw Data, Paloma dos Santos, Tsuyohiko Fujigaya, Tomoko Fujino, Aiko Fukazawa, Florian Glöcklhofer, Xugang Guo, Martin Heeney, Zachary M. Hudson, Yutaka Ie, Wataru Ishii, Christine K. Luscombe, Rebeca Marcilla, Takumi Matsuo, Shiori Miyazaki, Sakura Nakagawa, Takashi Nakanishi, Nako Nakatsuka, Hiroyuki Nishide, Yui Sasaki, Bob C. Schroeder, Manpreet Singh, Peter Skabara, Youhei Takeda, Yuya Tanaka, Yosuke Tani, Youichi Tsuchiya, Yusuke Tsutsui, Taro Uematsu, Guohua Xie, Nobuhiro Yanai
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Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D3FD00173C, Paper

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Pablo G Jambrina, James F. E. Croft, Balakrishnan Naduvalath, Hua Guo, F. Javier Aoiz
In molecular dynamics, a fundamental question is how the outcome of a collision depends on the relative orientation of the collision partners before their interaction begins (the stereodynamics of the...
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Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00002A, Paper

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TM Simon Tang, Louis YP Luk
Peptide asparaginyl ligases (PALs) hold significant potential in protein bioconjugation due to their excellent kinetic properties and broad substrate compatibility. However, realizing their full potential in biocatalytic applications requires precise...
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Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D3FD00175J, Paper

Jeshurun Luke, Lingbang Zhu, Yi-Xiang Liu, Kang-Kuen Ni
We propose to coherently control the ultracold 2KRb $\rightarrow$ K$_2$ + Rb$_2$ reaction product state distribution via quantum interference. By leveraging that the nuclear spin degrees of freedom in the...
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Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D3FD00164D, Paper

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Thomas Gstir, David Sundelin, Tim Michaelsen, Atilay Ayasli, Dasarath Swaraj, Jerin Judy, Fabio Zappa, Wolf Dietrich Geppert, Roland Wester
Studying larger nucleophiles in bimolecular nucleophilic substitution (SN 2) reactions bridges the gap from simple model systems to those relevant to organic chemistry. Therefore, we investigated the reaction dynamics between...
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Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00007B, Paper

Open Access

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Helen Chadwick, Gil Alexandrowicz
A magnetically manipulated molecular beam technique is used to change the rotational orientation of H₂ molecules which collide with a stepped Cu(511) surface and explore how the polarisation dependence of...
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