cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.6430819
title: Development of Decision Trees for the Selection of Pavement Maintenance and Rehabilitation Activities in South-Central United States

description: Over time, new pavements deteriorate under the combined effects of traffic loading and the environment, no matter how well-designed or constructed. In general, maintenance and rehabilitation activities are employed to slow down or reset the rate of pavement deterioration. Cement-Stabilized Full Depth Reclamation (CSFDR) is a common rehabilitation treatment used by transportation agencies, specifically in Louisiana. Likewise, Ultra-Thin overlay (UTO) is a pavement maintenance treatment that has increased in popularity in recent years in Region 6. Yet, several gaps exist in the literature regarding the long-term field performance and cost-effectiveness of these two treatments especially in hot and humid climates. Therefore, the key objectives of this study were to assess the immediate benefits and long-term field performance as well as the cost-effectiveness of these two treatments in Louisiana. To achieve these objectives, numerous CSFDR and UTO projects were identified from the Louisiana Department of Transportation (LaDOTD) Pavement Management System (PMS) database and analyzed in terms of alligator cracks, rutting, random cracks, and roughness over a monitoring period of up to 15 years. Results indicated that the performance of CSFDR is significantly affected by the pre-treatment pavement conditions, applied overlay thickness, and traffic. Results also indicated that CSFDR projects would usually fail due to the development of random cracks. This could be attributed to the development of shrinkage cracks, which is a common problem with cement stabilization in Louisiana. A regression model was developed to predict the service life of CSFDR based on project conditions. Results also showed that UTO considerably extended the Pavement Service Life (PSL) for all the distress indices. This extension varied based on the pre-treatment pavement conditions and traffic level. As such, a predictive model was developed, with reasonable accuracy, to predict the extension in PSL of UTO based on project conditions. The developed models in this project for CSFDR and UTO will help state agencies make effective decisions for the maintenance and rehabilitation of their pavements.
description: Tran-SET Project: 20PLSU02
DOI: 10.5281/zenodo.6430818
title: Development of Decision Trees for the Selection of Pavement Maintenance and Rehabilitation Activities in South-Central United States

description: Over time, new pavements deteriorate under the combined effects of traffic loading and the environment, no matter how well-designed or constructed. In general, maintenance and rehabilitation activities are employed to slow down or reset the rate of pavement deterioration. Cement-Stabilized Full Depth Reclamation (CSFDR) is a common rehabilitation treatment used by transportation agencies, specifically in Louisiana. Likewise, Ultra-Thin overlay (UTO) is a pavement maintenance treatment that has increased in popularity in recent years in Region 6. Yet, several gaps exist in the literature regarding the long-term field performance and cost-effectiveness of these two treatments especially in hot and humid climates. Therefore, the key objectives of this study were to assess the immediate benefits and long-term field performance as well as the cost-effectiveness of these two treatments in Louisiana. To achieve these objectives, numerous CSFDR and UTO projects were identified from the Louisiana Department of Transportation (LaDOTD) Pavement Management System (PMS) database and analyzed in terms of alligator cracks, rutting, random cracks, and roughness over a monitoring period of up to 15 years. Results indicated that the performance of CSFDR is significantly affected by the pre-treatment pavement conditions, applied overlay thickness, and traffic. Results also indicated that CSFDR projects would usually fail due to the development of random cracks. This could be attributed to the development of shrinkage cracks, which is a common problem with cement stabilization in Louisiana. A regression model was developed to predict the service life of CSFDR based on project conditions. Results also showed that UTO considerably extended the Pavement Service Life (PSL) for all the distress indices. This extension varied based on the pre-treatment pavement conditions and traffic level. As such, a predictive model was developed, with reasonable accuracy, to predict the extension in PSL of UTO based on project conditions. The developed models in this project for CSFDR and UTO will help state agencies make effective decisions for the maintenance and rehabilitation of their pavements.
description: Tran-SET Project: 20PLSU02
DOI: 10.5281/zenodo.6430974
title: Network Analysis to Identify Critical Links for Relief Activities During Extreme Weather Events

description: As one of the principal lifeline systems, transportation networks are crucial for evacuation and delivering essential resources and services during the response and recovery phases of extreme weather events and must remain intact to enhance regional resiliency. The conventional evaluation measures that estimate the vulnerability or criticality of road network based on travel time or link volumes do not capture the community impacts due to disruptions. This study seeks to develop a framework to evaluate road network infrastructure criticality during extreme weather events by introducing measures that evaluate the vulnerability of roads users, rather than the physical aspects of link importance. The research develops an innovative approach that integrates three important concepts including hurricane evacuation behavior, community impacts, and road criticality to identify the critical links. Results show that the critical links for vulnerable populations during evacuation do not always align with conventional link-based measures. This highlights the importance of using a performance measure that takes the social vulnerability of road users into consideration when identifying the criticality of a road network and planning for fortification of links to avoid irreversible consequences for vulnerable population groups. Furthermore, decision-making that considers the risks to different communities may lead to a more effective distribution of resources and help support a timely and safe evacuation from disaster events by strengthening the preservation of critical infrastructure links.
description: Tran-SET Project: 20PUTA28
DOI: 10.5281/zenodo.6430973
title: Network Analysis to Identify Critical Links for Relief Activities During Extreme Weather Events

description: As one of the principal lifeline systems, transportation networks are crucial for evacuation and delivering essential resources and services during the response and recovery phases of extreme weather events and must remain intact to enhance regional resiliency. The conventional evaluation measures that estimate the vulnerability or criticality of road network based on travel time or link volumes do not capture the community impacts due to disruptions. This study seeks to develop a framework to evaluate road network infrastructure criticality during extreme weather events by introducing measures that evaluate the vulnerability of roads users, rather than the physical aspects of link importance. The research develops an innovative approach that integrates three important concepts including hurricane evacuation behavior, community impacts, and road criticality to identify the critical links. Results show that the critical links for vulnerable populations during evacuation do not always align with conventional link-based measures. This highlights the importance of using a performance measure that takes the social vulnerability of road users into consideration when identifying the criticality of a road network and planning for fortification of links to avoid irreversible consequences for vulnerable population groups. Furthermore, decision-making that considers the risks to different communities may lead to a more effective distribution of resources and help support a timely and safe evacuation from disaster events by strengthening the preservation of critical infrastructure links.
description: Tran-SET Project: 20PUTA28
DOI: 10.25345/c5v11vq0r
title: MassIVE MSV000089229 - GNPS Iowa Prostaglandin Untargeted COVID run
title: Separated using a non-polar C8 column. Three subject groups were used: A mock infected group, a group of mice 2 days of being infected with COVID, and a group of mice 5 days after being infected with COVID. Lungs were cut into 12 pieces.
DOI: 10.5281/zenodo.6430979
title: The Effects of Terrain Properties upon the Small Crater Population Distribution at Giordano Bruno: Implications for Lunar Chronology

description: Derived data files from Williams et al. (2022) The Effects of Terrain Properties upon the Small Crater Population Distribution at Giordano Bruno: Implications for Lunar Chronology, submitted.
DOI: 10.5281/zenodo.6430978
title: The Effects of Terrain Properties upon the Small Crater Population Distribution at Giordano Bruno: Implications for Lunar Chronology

description: Derived data files from Williams et al. (2022) The Effects of Terrain Properties upon the Small Crater Population Distribution at Giordano Bruno: Implications for Lunar Chronology, submitted.
DOI: 10.6084/m9.figshare.16802068
title: Velocity and attenuation of S-wave in D'Euville limestone

description: The modeled velocity and attenuation of S-wave, as functions of frequency, for water-saturated D'Euville limestone. The resulting S-wave permeability, as function of frequency.<br>
DOI: 10.6084/m9.figshare.16802068.v3
title: Velocity and attenuation of S-wave in D'Euville limestone

description: The modeled velocity and attenuation of S-wave, as functions of frequency, for water-saturated D'Euville limestone. The resulting S-wave permeability, as function of frequency.<br>
DOI: 10.6084/m9.figshare.16802068.v2
title: Velocity and attenuation of S-wave in D'Euville limestone

description: The modeled velocity and attenuation of S-wave, as functions of frequency, for water-saturated D'Euville limestone.The resulting S-wave permeability, as function of frequency.<br>
DOI: 10.5281/zenodo.6431045
title: Exploring traffic safety problems and challenges of older roads' users in Louisiana: Causes and countermeasures

description: It is well established that older pedestrians and drivers with 65 years and above are among the most vulnerable road users. As the number and proportion of older road users (as drivers and pedestrians) grows in many countries, as well as their share in pedestrians’ and drivers’ crashes and injuries, it behooves transportation researchers to further investigate the safety and mobility challenges of older road users. This study aims mainly to provide a comprehensive investigation of older pedestrians’ and drivers’ safety challenges. To this end, a three-fold research approach is designed to thoroughly examine older road users’ safety challenges as pedestrians and drivers. First, crash data analysis identified significant risk factors causing/leading older drivers’ to be involved in vehicle crashes. Second, a driving simulator experiment was performed to further investigate the identified risky conditions from the crash data analysis and literature review. Third, a self-reported survey was conducted across the country to address pedestrians’ safety challenges, needs, and attitudes toward different pedestrian crossing facilities (i.e., signalized intersections, unsignalized intersections, midblock cross walks with and without flashing lights, and roundabouts). The results of this study provide a better understanding regarding older drivers’ and pedestrian’ needs and challenges that should be accommodated to improve their safety and mobility.
description: Tran-SET Project: 20SALSU13
DOI: 10.5281/zenodo.6431044
title: Exploring traffic safety problems and challenges of older roads' users in Louisiana: Causes and countermeasures

description: It is well established that older pedestrians and drivers with 65 years and above are among the most vulnerable road users. As the number and proportion of older road users (as drivers and pedestrians) grows in many countries, as well as their share in pedestrians’ and drivers’ crashes and injuries, it behooves transportation researchers to further investigate the safety and mobility challenges of older road users. This study aims mainly to provide a comprehensive investigation of older pedestrians’ and drivers’ safety challenges. To this end, a three-fold research approach is designed to thoroughly examine older road users’ safety challenges as pedestrians and drivers. First, crash data analysis identified significant risk factors causing/leading older drivers’ to be involved in vehicle crashes. Second, a driving simulator experiment was performed to further investigate the identified risky conditions from the crash data analysis and literature review. Third, a self-reported survey was conducted across the country to address pedestrians’ safety challenges, needs, and attitudes toward different pedestrian crossing facilities (i.e., signalized intersections, unsignalized intersections, midblock cross walks with and without flashing lights, and roundabouts). The results of this study provide a better understanding regarding older drivers’ and pedestrian’ needs and challenges that should be accommodated to improve their safety and mobility.
description: Tran-SET Project: 20SALSU13
DOI: 10.5517/ccdc.csd.cc277ljm
title: CCDC 2062880: Experimental Crystal Structure Determination

description: Related Article: Jian Tang, Liang Zhao|2022|Inorg.Chem.|61|4541|doi:10.1021/acs.inorgchem.2c00256
DOI: 10.5517/ccdc.csd.cc277mgl
title: CCDC 2062909: Experimental Crystal Structure Determination

description: Related Article: Jian Tang, Liang Zhao|2022|Inorg.Chem.|61|4541|doi:10.1021/acs.inorgchem.2c00256
DOI: 10.5517/ccdc.csd.cc277mkp
title: CCDC 2062912: Experimental Crystal Structure Determination

description: Related Article: Jian Tang, Liang Zhao|2022|Inorg.Chem.|61|4541|doi:10.1021/acs.inorgchem.2c00256
DOI: 10.5517/ccdc.csd.cc277mlq
title: CCDC 2062913: Experimental Crystal Structure Determination

description: Related Article: Jian Tang, Liang Zhao|2022|Inorg.Chem.|61|4541|doi:10.1021/acs.inorgchem.2c00256
DOI: 10.5517/ccdc.csd.cc277mmr
title: CCDC 2062914: Experimental Crystal Structure Determination

description: Related Article: Jian Tang, Liang Zhao|2022|Inorg.Chem.|61|4541|doi:10.1021/acs.inorgchem.2c00256
DOI: 10.5517/ccdc.csd.cc277mns
title: CCDC 2062915: Experimental Crystal Structure Determination

description: Related Article: Jian Tang, Liang Zhao|2022|Inorg.Chem.|61|4541|doi:10.1021/acs.inorgchem.2c00256
DOI: 10.5517/ccdc.csd.cc277mpt
title: CCDC 2062916: Experimental Crystal Structure Determination

description: Related Article: Jian Tang, Liang Zhao|2022|Inorg.Chem.|61|4541|doi:10.1021/acs.inorgchem.2c00256
DOI: 10.5517/ccdc.csd.cc277mqv
title: CCDC 2062917: Experimental Crystal Structure Determination

description: Related Article: Jian Tang, Liang Zhao|2022|Inorg.Chem.|61|4541|doi:10.1021/acs.inorgchem.2c00256
DOI: 10.5517/ccdc.csd.cc277n05
title: CCDC 2062926: Experimental Crystal Structure Determination

description: Related Article: Jian Tang, Liang Zhao|2022|Inorg.Chem.|61|4541|doi:10.1021/acs.inorgchem.2c00256
DOI: 10.5517/ccdc.csd.cc27fkz7
title: CCDC 2068629: Experimental Crystal Structure Determination

description: Related Article: Magnus Mahl, M. A. Niyas, Kazutaka Shoyama, Frank Würthner|2022|Nature Chemistry|14|457|doi:10.1038/s41557-021-00861-5
DOI: 10.5517/ccdc.csd.cc27fl09
title: CCDC 2068630: Experimental Crystal Structure Determination

description: Related Article: Magnus Mahl, M. A. Niyas, Kazutaka Shoyama, Frank Würthner|2022|Nature Chemistry|14|457|doi:10.1038/s41557-021-00861-5
DOI: 10.5517/ccdc.csd.cc27fl1b
title: CCDC 2068631: Experimental Crystal Structure Determination

description: Related Article: Magnus Mahl, M. A. Niyas, Kazutaka Shoyama, Frank Würthner|2022|Nature Chemistry|14|457|doi:10.1038/s41557-021-00861-5
DOI: 10.5517/ccdc.csd.cc27fl2c
title: CCDC 2068632: Experimental Crystal Structure Determination

description: Related Article: Magnus Mahl, M. A. Niyas, Kazutaka Shoyama, Frank Würthner|2022|Nature Chemistry|14|457|doi:10.1038/s41557-021-00861-5
DOI: 10.5517/ccdc.csd.cc28m4dg
title: CCDC 2103765: Experimental Crystal Structure Determination

description: Related Article: Zaneta Papadopulu, Novid Kazeroonian, Elisabeth Irran, Martin Oestreich|2021|ACS Org. Inorg. Au|2|164|doi:10.1021/acsorginorgau.1c00050
DOI: 10.5517/ccdc.csd.cc28mzvr
title: CCDC 2104585: Experimental Crystal Structure Determination

description: Related Article: Zhong Liu, Jia-Hao He, Ming Zhang, Zhu-Jun Shi, Han Tang, Xin-Yue Zhou, Jun-Jie Tian, Xiao-Chen Wang|2022|J.Am.Chem.Soc.|144|4810|doi:10.1021/jacs.2c00962
DOI: 10.5517/ccdc.csd.cc28ym51
title: CCDC 2113833: Experimental Crystal Structure Determination

description: Related Article: Quentin Gaydon, D. Scott Bohle|2022|Inorg.Chem.|61|4660|doi:10.1021/acs.inorgchem.1c03789
DOI: 10.5517/ccdc.csd.cc28ym95
title: CCDC 2113837: Experimental Crystal Structure Determination

description: Related Article: Quentin Gaydon, D. Scott Bohle|2022|Inorg.Chem.|61|4660|doi:10.1021/acs.inorgchem.1c03789
DOI: 10.5517/ccdc.csd.cc29285v
title: CCDC 2117336: Experimental Crystal Structure Determination

description: Related Article: Cheng Huang, Zhifei Zhao, Shiwu Li, Jixing Zhao, Leifang Wu, Chengzhi Gu|2022|Org.Chem.Front.|9|1932|doi:10.1039/D1QO01657A
DOI: 10.5517/ccdc.csd.cc294pw1
title: CCDC 2119683: Experimental Crystal Structure Determination

description: Related Article: Yong-Cheng Yang, Te-Ri-Gen Bao, Shu-Yi Zhu, Lu-Qi Liu, Guo-Qing Long, Zi-Feng Guo, Xuan-Li Liu, Xiao-Xu Gao, Jing-Ming Jia, An-Hua Wang|2022|Org.Chem.Front.|9|1917|doi:10.1039/D2QO00042C
DOI: 10.5517/ccdc.csd.cc294px2
title: CCDC 2119684: Experimental Crystal Structure Determination

description: Related Article: Yong-Cheng Yang, Te-Ri-Gen Bao, Shu-Yi Zhu, Lu-Qi Liu, Guo-Qing Long, Zi-Feng Guo, Xuan-Li Liu, Xiao-Xu Gao, Jing-Ming Jia, An-Hua Wang|2022|Org.Chem.Front.|9|1917|doi:10.1039/D2QO00042C
DOI: 10.5517/ccdc.csd.cc2953p9
title: CCDC 2120080: Experimental Crystal Structure Determination

description: Related Article: Zaneta Papadopulu, Novid Kazeroonian, Elisabeth Irran, Martin Oestreich|2021|ACS Org. Inorg. Au|2|164|doi:10.1021/acsorginorgau.1c00050
DOI: 10.5517/ccdc.csd.cc29cbnp
title: CCDC 2126062: Experimental Crystal Structure Determination

description: Related Article: Richard Foja, Alexandra Walter, Christian Jandl, Erling Thyrhaug, Jürgen Hauer, Golo Storch|2022|J.Am.Chem.Soc.|144|4721|doi:10.1021/jacs.1c13285
DOI: 10.5517/ccdc.csd.cc27hbmq
title: CCDC 2070323: Experimental Crystal Structure Determination

description: Related Article: Yu-Ying Jiang, Hui Liu, Ting Li, Kun Zhang, Peng-Fu Gao, Meng-Shu Zhou, Li-Lei Zhang, Hong-Ru Fu|2022|Cryst.Growth Des.|22|2725|doi:10.1021/acs.cgd.2c00113
DOI: 10.5517/ccdc.csd.cc29hfhr
title: CCDC 2129994: Experimental Crystal Structure Determination

description: Related Article: Yu-Ying Jiang, Hui Liu, Ting Li, Kun Zhang, Peng-Fu Gao, Meng-Shu Zhou, Li-Lei Zhang, Hong-Ru Fu|2022|Cryst.Growth Des.|22|2725|doi:10.1021/acs.cgd.2c00113
DOI: 10.5517/ccdc.csd.cc29j7cg
title: CCDC 2130765: Experimental Crystal Structure Determination

description: Related Article: Sida Zhang, Lixi Chen, Jian Xie, Yugang Zhang, Feng Huang, Xia Wang, Kai Li, Fuwan Zhai, Qian Yang, Lanhua Chen, Yaxing Wang, Xing Dai, Zhifang Chai, Shuao Wang|2022|Inorg.Chem.|61|4561|doi:10.1021/acs.inorgchem.2c00250
DOI: 10.5517/ccdc.csd.cc29j7dh
title: CCDC 2130766: Experimental Crystal Structure Determination

description: Related Article: Sida Zhang, Lixi Chen, Jian Xie, Yugang Zhang, Feng Huang, Xia Wang, Kai Li, Fuwan Zhai, Qian Yang, Lanhua Chen, Yaxing Wang, Xing Dai, Zhifang Chai, Shuao Wang|2022|Inorg.Chem.|61|4561|doi:10.1021/acs.inorgchem.2c00250
DOI: 10.5517/ccdc.csd.cc29j7fj
title: CCDC 2130767: Experimental Crystal Structure Determination

description: Related Article: Sida Zhang, Lixi Chen, Jian Xie, Yugang Zhang, Feng Huang, Xia Wang, Kai Li, Fuwan Zhai, Qian Yang, Lanhua Chen, Yaxing Wang, Xing Dai, Zhifang Chai, Shuao Wang|2022|Inorg.Chem.|61|4561|doi:10.1021/acs.inorgchem.2c00250
DOI: 10.5517/ccdc.csd.cc29j7gk
title: CCDC 2130768: Experimental Crystal Structure Determination

description: Related Article: Sida Zhang, Lixi Chen, Jian Xie, Yugang Zhang, Feng Huang, Xia Wang, Kai Li, Fuwan Zhai, Qian Yang, Lanhua Chen, Yaxing Wang, Xing Dai, Zhifang Chai, Shuao Wang|2022|Inorg.Chem.|61|4561|doi:10.1021/acs.inorgchem.2c00250
DOI: 10.5517/ccdc.csd.cc29m0lk
title: CCDC 2133438: Experimental Crystal Structure Determination

description: Related Article: Ludwig Hackl, Luong Phong Ho, Dustin Bockhardt, Thomas Bannenberg, Matthias Tamm|2022|Organometallics|41|836|doi:10.1021/acs.organomet.2c00075
DOI: 10.5517/ccdc.csd.cc29m0ml
title: CCDC 2133439: Experimental Crystal Structure Determination

description: Related Article: Ludwig Hackl, Luong Phong Ho, Dustin Bockhardt, Thomas Bannenberg, Matthias Tamm|2022|Organometallics|41|836|doi:10.1021/acs.organomet.2c00075
DOI: 10.5517/ccdc.csd.cc29m0nm
title: CCDC 2133440: Experimental Crystal Structure Determination

description: Related Article: Ludwig Hackl, Luong Phong Ho, Dustin Bockhardt, Thomas Bannenberg, Matthias Tamm|2022|Organometallics|41|836|doi:10.1021/acs.organomet.2c00075
DOI: 10.5517/ccdc.csd.cc29m0pn
title: CCDC 2133441: Experimental Crystal Structure Determination

description: Related Article: Ludwig Hackl, Luong Phong Ho, Dustin Bockhardt, Thomas Bannenberg, Matthias Tamm|2022|Organometallics|41|836|doi:10.1021/acs.organomet.2c00075
DOI: 10.5517/ccdc.csd.cc29m0qp
title: CCDC 2133442: Experimental Crystal Structure Determination

description: Related Article: Ludwig Hackl, Luong Phong Ho, Dustin Bockhardt, Thomas Bannenberg, Matthias Tamm|2022|Organometallics|41|836|doi:10.1021/acs.organomet.2c00075
DOI: 10.5517/ccdc.csd.cc29m0rq
title: CCDC 2133443: Experimental Crystal Structure Determination

description: Related Article: Ludwig Hackl, Luong Phong Ho, Dustin Bockhardt, Thomas Bannenberg, Matthias Tamm|2022|Organometallics|41|836|doi:10.1021/acs.organomet.2c00075
DOI: 10.5517/ccdc.csd.cc29m0sr
title: CCDC 2133444: Experimental Crystal Structure Determination

description: Related Article: Ludwig Hackl, Luong Phong Ho, Dustin Bockhardt, Thomas Bannenberg, Matthias Tamm|2022|Organometallics|41|836|doi:10.1021/acs.organomet.2c00075
DOI: 10.5517/ccdc.csd.cc29m0ts
title: CCDC 2133445: Experimental Crystal Structure Determination

description: Related Article: Ludwig Hackl, Luong Phong Ho, Dustin Bockhardt, Thomas Bannenberg, Matthias Tamm|2022|Organometallics|41|836|doi:10.1021/acs.organomet.2c00075
DOI: 10.5517/ccdc.csd.cc29m0vt
title: CCDC 2133446: Experimental Crystal Structure Determination

description: Related Article: Ludwig Hackl, Luong Phong Ho, Dustin Bockhardt, Thomas Bannenberg, Matthias Tamm|2022|Organometallics|41|836|doi:10.1021/acs.organomet.2c00075
DOI: 10.5517/ccdc.csd.cc29m0wv
title: CCDC 2133447: Experimental Crystal Structure Determination

description: Related Article: Ludwig Hackl, Luong Phong Ho, Dustin Bockhardt, Thomas Bannenberg, Matthias Tamm|2022|Organometallics|41|836|doi:10.1021/acs.organomet.2c00075
DOI: 10.5517/ccdc.csd.cc29m0xw
title: CCDC 2133448: Experimental Crystal Structure Determination

description: Related Article: Ludwig Hackl, Luong Phong Ho, Dustin Bockhardt, Thomas Bannenberg, Matthias Tamm|2022|Organometallics|41|836|doi:10.1021/acs.organomet.2c00075
DOI: 10.5517/ccdc.csd.cc29m0yx
title: CCDC 2133449: Experimental Crystal Structure Determination

description: Related Article: Ludwig Hackl, Luong Phong Ho, Dustin Bockhardt, Thomas Bannenberg, Matthias Tamm|2022|Organometallics|41|836|doi:10.1021/acs.organomet.2c00075