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Effect of preparation conditions of nanocrystalline Pd/MgO catalysts on their performance in selective hydrogenation of acetylene Mol. Catal. (IF 4.6) Pub Date : 2024-04-15 Ekaterina V. Ilyina, Daria V. Yurpalova, Dmitry A. Shlyapin, Grigory B. Veselov, Danil M. Shivtsov, Vladimir O. Stoyanovskii, Andrey V. Bukhtiyarov, Aleksey A. Vedyagin
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Oxygen Electroreduction Reaction on Iron, Nitrogen-doped Nanocarbons: Structure – Reactivity Relationship Mol. Catal. (IF 4.6) Pub Date : 2024-04-15 Anton V. Kuzmin, Bagrat A. Shainyan
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Two easy methods to increase SO2-resistance ability of Mn-based catalyst Mol. Catal. (IF 4.6) Pub Date : 2024-04-13 Xiuzhi Han, Xiaolei Zhu, Shuhui Ou, Jia Zhang, Guangren Qian
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Efficient targeted acquisition 2,5-furandicarboxylic acid derived from 5-hydroxymethylfurfural over novel copper and vanadium oxide-functionalized catalysts Mol. Catal. (IF 4.6) Pub Date : 2024-04-13 Jian Liu, Feng Cheng, Shuolin Zhou, Lingli Zhu, Qiong Xu, Dulin Yin, Xianxiang Liu
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Oxygen vacancy-enrich Ag/brookite TiO2 Schottky junction for enhanced photocatalytic CO2 reduction Mol. Catal. (IF 4.6) Pub Date : 2024-04-13 Xinyu Tong, Wei Chen, Gang Cheng
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Near-infrared inducible supports in bio-catalysts design: A useful and versatile tool in enhancement of enzyme activity Mol. Catal. (IF 4.6) Pub Date : 2024-04-13 Samir Abbas Ali Noma, Gamze Dik, Canbolat Gürses, Ali Kuruçay, Seda Demirel Topel, Ahmet Ulu, Meltem Asiltürk, Burhan Ateş
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The mechanism and origins of the chemo- and regio-selectivity of ruthenium porphyrin catalyzed C[sbnd]H bonds oxidation Mol. Catal. (IF 4.6) Pub Date : 2024-04-13 Jian-Sen Wang, Lu Li, Rong-Lin Zhong, Zhong-Min Su
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Nix/TiO2 catalysts for enhancing the selectivity of methylcyclohexane dehydrogenation Mol. Catal. (IF 4.6) Pub Date : 2024-04-12 Jiaojiao Gao, Ning Li, Dongqiang Zhang, Haowen Ma, Xuecheng Zhan, Shiling Zhao, Yu Zhao
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Supported noble metal-based catalysts for thermal CO2 hydrogenation to CO Mol. Catal. (IF 4.6) Pub Date : 2024-04-12 Hongsen Dong, MuNam Jung, Yaping Zhang, Sheng Wang, Shipeng Ding
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Cascade synthesis of D-phenyllactic acid using amorphous metal-organic framework-modified Escherichia coli Mol. Catal. (IF 4.6) Pub Date : 2024-04-12 Xi Luo, Yufeng Zhou, Yifeng Wang, Xiaolong Sun, Jiahuan Hu, Xiangyu Zi, Yongqian Fu
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Chitosan-supported calcium hydroxide hybrid material as new, efficient, and recyclable catalyst for biodiesel production Mol. Catal. (IF 4.6) Pub Date : 2024-04-12 A. Aloia, M. Izzi, A. Rizzuti, M. Casiello, P. Mastrorilli, N. Cioffi, A. Nacci, R.A. Picca, A. Monopoli
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Interplay of Ligand-Controlled Reaction Pathways: DFT Analysis of Mechanisms and Selectivities in Pd-Catalyzed Semireduction of Allenamides Mol. Catal. (IF 4.6) Pub Date : 2024-04-12 Ji Ma, Simeng Qi, Guowei Yan, Alexander M. Kirillov, Lizi Yang, Ran Fang
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Visible-light-induced decarboxylative annulation of silanecarboxylic acids with 2‑isocyanobiaryls to 6‑silyl-substituted phenanthridines Mol. Catal. (IF 4.6) Pub Date : 2024-04-12 Cailin Deng, Tiankai Zhang, Ye Tian, Pan Gao, Guodong Zhang, Feng Chen
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Enhanced CO2 methanation activity of Ni-Rutile-based catalyst by tuning the metal−support interaction with Fe doping Mol. Catal. (IF 4.6) Pub Date : 2024-04-11 Nan Zhou, Xiaoqing Jia, Siyuan Chen, Huafan Li, Feifei Li, Botao Qiao, Hailian Tang, Guoyi Bai
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Recent progress in designing heterogeneous COFs with the photocatalytic performance Mol. Catal. (IF 4.6) Pub Date : 2024-04-11 Sajjad Gharanli, Rahime Eshaghi Malekshah, Mojtaba Moharramnejad, Ali Ehsani, Mehrnaz Shahi, Ali Hassani Joshaghani, Ali hossein Amini, Jebiti Haribabu, Erman Salih ISTIFLI, Firoozeh Kavosh Tehrani
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Ratio screening of high performance Rh-Ni catalyst for ethanol synthesis from syngas: An integration of theoretical and experimental investigation Mol. Catal. (IF 4.6) Pub Date : 2024-04-10 Jingjing Zhang, Yang Feng, Lixia Ling, Caiping Ma, Jungang Wang, Riguang Zhang, Maohong Fan, Bo Hou, Debao Li, Baojun Wang
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A structural defect strategy for NH2-UiO-66(Zr) to enhance photocatalytic NO removal activity and synchronously inhibit NO2 Mol. Catal. (IF 4.6) Pub Date : 2024-04-10 Xiaoli Xiong, Pengfei Zhu, Maosen Xu, Ning Li, Guizhi Zhang, Rong Peng, Xingyan Liu, Jiajia Jing, Siping Wei
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Effect of Cu doping on Ni surface on CO formation pathways during the methane dry reforming reaction Mol. Catal. (IF 4.6) Pub Date : 2024-04-09 Cunxin Zhang, Juntian Niu, Baihe Guo, Haiyu Liu, Yan Jin, Jingyu Ran
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Dual templates synthesis of Ti-containing hollownest-structure zeolite with efficiently catalytic activity Mol. Catal. (IF 4.6) Pub Date : 2024-04-09 Kang Ma, Fuzhong Wei, Dan Zhou, Xinwen Guo, Xinhuan Lu, Haotian Guo, Qinghua Xia
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Design and optimization of CuCo-LDO catalysts via ZIF-67 sacrificial templates for enhanced toluene oxidation: A comprehensive study on morphology, structure, and catalytic activity Mol. Catal. (IF 4.6) Pub Date : 2024-04-09 Yang Xu, Jinghuan Chen, Zhiping Ye, Jiade Wang
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Titania-crystal-phase-engineered strong metal-support interactions and catalysis in CO2 hydrogenation Mol. Catal. (IF 4.6) Pub Date : 2024-04-08 Dandan Ren, Jieqiong Ding, Cen Tang, Hao Wang, Weixin Huang, Xiaodong Wen, Zhenhua Zhang
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Enhanced Mn-Co synergies of manganese-cobalt spinel oxide for efficient aerobic oxidation of benzyl alcohol Mol. Catal. (IF 4.6) Pub Date : 2024-04-08 Aoxia Ren, Xiaoyan Hu, Rui Feng, Tianbo Li, Feifei Yang, Guofeng Zhao, Xinlong Yan
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Synthesis of bay-substituted perylene diimide as bifunctional photocatalyst for enhanced water oxidation and hydrogen peroxide generation Mol. Catal. (IF 4.6) Pub Date : 2024-04-08 Bo Zhang, Shoufeng Wang, Shihao Min, Kang Li, Longtian Kang, Wenlie Lin
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Mechanistic aspects of Pd-catalyzed ethylene decomposition in vinyl acetate synthesis Mol. Catal. (IF 4.6) Pub Date : 2024-04-08 Pengyuan Qiu, Zhiqiang Liu, Yunxin Yang, Li Sun, Hui Sun, Zuoxiang Zeng, Zhen Liu
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Facile fabrication of atomically dispersed Pt catalysts on MgFe2O4 toward efficient CO oxidation Mol. Catal. (IF 4.6) Pub Date : 2024-04-08 Fen Wang, Yulong Li, Yao Ouyang, Xiumiao Yang
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Synthesis of micro-mesoporous TS-1 zeolite and its green catalytic oxidation of p-diethylbenzene Mol. Catal. (IF 4.6) Pub Date : 2024-04-08 Ying Guo, Jinhong Li, Liu Zhao, Qingxin Xu, Zhimei Song, Jinge Wang, Mei Han, Lidong Chen, Weiguo Cheng, Xinwen Guo
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Exploring the energetics of Suzuki cross-coupling reaction: A computational study of palladium and nickel catalysts Mol. Catal. (IF 4.6) Pub Date : 2024-04-08 Laila Roikhatul Jannah, Aditya Wibawa Sakti, Muhamad Abdulkadir Martoprawiro, Gagus Ketut Sunnardianto
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Effect of TiO2 on catalytic performance of gold-titanium-catalyzed gas-phase epoxidation of propylene Mol. Catal. (IF 4.6) Pub Date : 2024-04-08 Yujia Liu, Chenyang Zhao, Bing Sun, Hongwei Zhu, Wei Xu, Zhe Yang
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Exploring the impact of S-doped Fe-N-C materials on the ORR mechanism within a constant potential solvation model Mol. Catal. (IF 4.6) Pub Date : 2024-04-06 Penghui Ren, Zhongbao Feng, Ying Zhao, Chunyang Liu, Huixia Li, Ruopeng Li, Xuebo Chen
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Cr2O3 promotes the catalytic performance of Bi-based catalysts for electrochemical CO2 reduction to HCOOH Mol. Catal. (IF 4.6) Pub Date : 2024-04-06 Fanjiao Kong, Chao Wen, Lan Kang, Pin Gao, Lihui Dong, Bin Li, Huibing He, Minguang Fan, Zhengjun Chen
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Insight into the mechanism of simultaneous removal of NOx and toluene by MnCuTi ternary catalyst Mol. Catal. (IF 4.6) Pub Date : 2024-04-06 Haoxu Ji, Yaqin Hou, Biao Li, Yatao Yang, Shuang Ma, Zhanggen Huang
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Generation mechanism of methyl acetate during gas-phase synthesis of vinyl acetate from ethylene on PdAu(100) surface: A combined DFT and kMC study Mol. Catal. (IF 4.6) Pub Date : 2024-04-06 Minhua Zhang, Peng Zheng, Jiaqi Li, Yingzhe Yu
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Water-promoted selective hydrogenation of cinnamaldehyde over hydrotalcite-derived Co catalysts Mol. Catal. (IF 4.6) Pub Date : 2024-04-06 Xing Gao, Ying Ma, Yingying Ruan, Wenna Zhang, Shihao Zhang, Wenxue Xiong, Dong Tian, Shiliu Yang, Pei Fan, Yanhui Yang, Yihu Dai
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Electrochemical and Photocatalytic Synthesis of Organic Compounds Utilizing a Greener Approach. A review Mol. Catal. (IF 4.6) Pub Date : 2024-04-06 Syed Kashif Ali, Hanan A. Althikrallah, Mustafa S. Alluhaibi, Mohammed Bakr Hawsawi, Othman Hakami, Mohammad Shariq, Dalin A. Hassan, Mushtaq Hussain
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An organic/inorganic Z-scheme heterojunction Yb-MOF/BiOBr for efficient photocatalytic removal of NO Mol. Catal. (IF 4.6) Pub Date : 2024-04-05 Wangxing Ai, Ailin Jiang, Xing'an Dong, Peng Chen, Yi Wang, Wensheng Fu, Wendong Zhang, Zhongwei Jiang
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Hydroisomerization catalysts with enhanced metal charge density prepared by a novel low temperature loading method Mol. Catal. (IF 4.6) Pub Date : 2024-04-05 Yumeng Zhao, Yangchun Tan, Shichao Han, Nai Yeen Gavin Lai, Bingge Feng, Kok-Hoong Wong, Yanyan Du, Jiusheng Li
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The impact of indium and manganese modifiers on the catalytic properties of zinc-alumina propane dehydrogenation catalysts Mol. Catal. (IF 4.6) Pub Date : 2024-04-05 Yury A. Agafonov, Alexander I. Serykh
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Grafting EDTA in UiO-66 to modulate the microenvironment of Rh for 1-hexene Hydroformylation Mol. Catal. (IF 4.6) Pub Date : 2024-04-05 Yuhao Yang, Minghui Tan, Hailun Geng, Xiujuan Gao, Yisheng Tan, Qingde Zhang
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Conversion of 5-hydroxymethylfurfural and carbohydrates to 5-ethoxymethylfurfural over chitin-derived solid acid catalysts Mol. Catal. (IF 4.6) Pub Date : 2024-04-04 Ziting Du, Jinhang Dai, Qingya Cao, Ronghe Yang, Delong Yang, Jialin Li, Fukun Li, Xingxing Gu
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Insights into support effects of Ag/SiO2 catalysts for dimethyl glycolate semi-hydrogenation to methyl glycolate Mol. Catal. (IF 4.6) Pub Date : 2024-04-04 Zuwei Luo, Yun Shen, Di Fang, Chuanchao He, Yueqiang Cao, Wei Li, Yi-An Zhu, Jinghong Zhou, Xinggui Zhou
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Total hydrogenation of furfural on Pd/COFs under mild conditions Mol. Catal. (IF 4.6) Pub Date : 2024-04-04 Yongxin Zhang, He Li, Zhongliang Shi, Miao Guo, Yanming Hu, Guangyuan Zhou
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Construction of an enzymatic-chemical cascade involving engineered amine dehydrogenases for the synthesis of chiral non-α-amino acids by substrate engineering and enzyme evolution Mol. Catal. (IF 4.6) Pub Date : 2024-04-04 Zhuofan Lai, Tao Wu, Feng Zhou, Yan Xu, Xiaoqing Mu
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Designing Nickel-based catalysts for the hydrogenation of CO2 under Ambient conditions: A computational study Mol. Catal. (IF 4.6) Pub Date : 2024-04-04 Anupama Mahato, Akhilesh Mahato, Purnima Singh, Debasis Dhak, Anup Pramanik
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Nickel(I)-catalysed multicomponent reductive hydrocarbonylation of alkenes: A theoretical study of mechanism, regio-, enantio-, and chemoselectivity Mol. Catal. (IF 4.6) Pub Date : 2024-04-04 Haiyi Chen, Lijuan Huang, Hui Chen, Juan Li
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Experimental and theoretical investigation on the high activity La0.8-xSr0.2KxMn1-yByO3-δ perovskite catalyst with combined A and B site modifications Mol. Catal. (IF 4.6) Pub Date : 2024-04-04 Congcong Li, Wenyue Dai, Zihan Li, Runhan Niu, Qilong Guo, Haonan Qiao, Panpan Liu, Changsen Zhang
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Efficient hydrogen production by methanol aqueous phase reforming over KMnO4 modified PtMnK/AC catalyst: Regulating the hydrophilicity of carbon support Mol. Catal. (IF 4.6) Pub Date : 2024-04-03 Peng Wang, Yuankai Huang, Riyang Shu, Junyao Wang, Jianping Liu, Chao Wang, Zhipeng Tian, Ying Chen
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A DFT study on Cu-ZSM-5 as a catalyst for NO decomposition: Possible activity of a Cu(I) pair located at the T3 tetrahedral sites Mol. Catal. (IF 4.6) Pub Date : 2024-04-03 Michele De Rosa, Maria Cristina Campa, Daniela Pietrogiacomi, Simone Morpurgo
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Montmorillonite-Silica-Graphene oxide composite incorporating with chiral thiourea for the Strecker reaction Mol. Catal. (IF 4.6) Pub Date : 2024-04-01 Pratikkumar Lakhani, Chetan K. Modi
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Non-nitrogen Mn-O4 coordination environment boosting CO2 electroreduction over single-atom Mn catalyst at low overpotential Mol. Catal. (IF 4.6) Pub Date : 2024-03-30 Kuan Wang, Li-Sha Li, Rong-Rong Zhang, Huan Wang, Xue Jiang, Xiaodong Hao, Zhen-Hong He, Zhao-Tie Liu
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Fabrication and first-principles calculations of aminoclay-derived nickel nanoparticles for selective semi-hydrogenation of alkynes: The impact of aminopropyl groups Mol. Catal. (IF 4.6) Pub Date : 2024-03-30 Jie Han, Xin Wen, Hongchao Wang, Tianren Wang, Yuzhen Sun, Luis Ricardez-Sandoval, Guoyi Bai
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Regulation of acid/basic properties of Zr-Beta zeolite for efficient conversion of furfural to furfuryl alcohol Mol. Catal. (IF 4.6) Pub Date : 2024-03-30 Yuanyuan Chen, Tianliang Lu, Xiaomei Yang, Lipeng Zhou
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A combination of DFT and kMC to study on the formation mechanism of ethyl acetate during the gas-phase synthesis of vinyl acetate from ethylene on PdAu(100) surface Mol. Catal. (IF 4.6) Pub Date : 2024-03-30 Yingzhe Yu, Liangfeng An, Jiaqi Li, Minhua Zhang
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Monoethanolamine assisted CO2 hydrogenation to methanol – A computational study Mol. Catal. (IF 4.6) Pub Date : 2024-03-29 Rachid Hadjadj, Imre G. Csizmadia, Hadeer Q. Waleed, Dalal K. Thbayh, Béla Viskolcz, Béla Fiser
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Thermodynamic possibility analysis of CH3COOH synthesis from CH4 and CO2 Mol. Catal. (IF 4.6) Pub Date : 2024-03-29 Xin-Yu Zhang, Shuai Bian, Hai-Feng Tian, Zhi-Feng Yan, Jia-Yao Feng, Lei Liu, Wei Huang, Zhi-Jun Zuo
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Photocatalytic N-formylation of amines with CO2 over Pt-Bi bimetallic decorated CeO2−x Mol. Catal. (IF 4.6) Pub Date : 2024-03-29 Yi He, Peng Bai, Shibo Yuan, Jiafa Chen, Yicheng Zhao, Yongdan Li
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Cu-Doped CoZn@NC promotes catalytic activity of furfural hydrogenation at low temperature: Regulation of copper Mol. Catal. (IF 4.6) Pub Date : 2024-03-29 Siyi Pu, Lu Sun, Chunyan Yang, Jie Chu, Ying Wang, Chungang Min, Xiaoqin Zou, Changfu Zhuang
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3,4-selective polymerization of isoprene by iron-based system: The key role of borate salts for enhancing catalytic activities and broadening 1,10-phenanthroline ligand scope Mol. Catal. (IF 4.6) Pub Date : 2024-03-29 Xiaojian Liu, Qi Yang, Chunyu Zhang, Xuequan Zhang, Heng Liu
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The reduction mechanism of C1 product from carbon dioxide catalyzed by Ni-doped g-C3N4 Mol. Catal. (IF 4.6) Pub Date : 2024-03-29 Shuwei Zhang, Huining Feng, Chenyu Li, Xindi Cao, Hui Li, Yang Wu
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Multigram synthesis of ethyl (S)-4-chloro-3-hydroxybutanoate in a monophasic aqueous system using a robust NADH-dependent alcohol dehydrogenase from Pseudomonas bacterium Mol. Catal. (IF 4.6) Pub Date : 2024-03-28 Xuecai Wei, Xiaoyang Yue, Quan Yuan, Ying He, Li Ma, Liya Zhou, Guanhua Liu, Yunting Liu, Yanjun Jiang
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The synthesis for adamantane derivatives of high energy density fuel catalyzed by HY zeolite based on the DFT Mol. Catal. (IF 4.6) Pub Date : 2024-03-28 Jialing Ma, Lixia Ling, Shijun Zhang, Jiale Han, Riguang Zhang, Guochun Yan, Jianli Wang, Weimin Lu, Yi Li, Baojun Wang