Research ID:


Book Chapter

“Theoretical aspects of metal vinylidene and allenylidene complexes” in <<metal-vinylidenes and allenylidenes in catalysis>> Edited by Christian Bruneau and Pierre H. Dixneuf (an invited contribution) (Chapter 4, p129-158; Wiley-VCH, 2008)

Journal Covers


146. Systematic Design of a Frustrated Lewis Pair Containing Methyleneborane and Carbene for Dinitrogen Activation. Alvi Muhammad Rouf, Yuanyuan Huang, Shicheng Dong, Jun Zhu*, Inorg. Chem. 2021, 60, ASAP. DOI: 10.1021/acs.inorgchem.0c03520.

145. Isolation of a carbon nanohoop with Möbius topology. Zhen-Lin Qiu, Dandan Chen, Zeying Deng, Ke-Shan Chu, Yuanzhi Tan*, Jun Zhu*, Sci. China Chem. 2021, 64, Accepted Article. DOI: 10.1007/s11426-021-9981-3.

144. [Bi6Mo3(CO)9]4−: [Bi6Mo3(CO)9]4−: a multiple local σ-aromatic cluster containing a distorted Bi6 triangular prism. Lei Qiao, Dandan Chen, Jun Zhu, Alvaro Muñoz-Castroc and Zhong-Ming Sun*, Chem. Commun. 2021, 57, Advance Article. DOI: 10.1039/D1CC00734C.

143. Adaptive Aromaticity in Metallasilapentalynes. Yuanyuan Huang, Dandan Chen, Jun Zhu*, Organometallics, 2021, 40, ASAP. DOI: 10.1021/acs.organomet.1c00014.

142. Probing the origin of the stereoselectivity and enantioselectivity of cobalt-catalyzed [2 + 2] cyclization of ethylene and enynes. Lu Lin, Chenshu Dai, Jun Zhu*, Org. Chem. Front. 2021, 8, 1531-1543. DOI: 10.1039/D0QO01412E.

141. Probing hyperconjugative aromaticity in 2H-pyrrolium and cyclopentadiene containing Group 9 transition metal substituent: Bridged carbonyl ligands can enhance aromaticity. Jie Zeng, Yu Zhao, Fangzhou Xu, Jun Zhu*, Phys. Chem. Chem. Phys. 2021, 23, 2697-2702. DOI: 10.1039/D0CP06388F.

140. Rational design of the nickel‐borane complex for efficient hydrogenation of styrene. Lei Zhang, Qin Zhu, Liuzhou Gao, Linlin Yang, Wei Li, Shuhua Li, Jun Zhu, Jun Zhu*, Wei Wang*, Guixiang Zeng*, J. Comput. Chem. 2021, 42, 545-551. DOI: 10.1002/jcc.26480.

139. Aromaticity Survival in Hydrofullerenes: The Case of C66H4 with its π‐Aromatic Circuits. Dandan Chen, Dariusz W. Szczepanik, Jun Zhu, Alvaro Muñoz-Castro*, Miquel Solà*, Chem. Eur. J. 2021, 27, 802-808. DOI: 10.1002/chem.202004322.

138. Probing the Tautomerization of Disilenes, Disilabenzenes with Their Isomeric Silylenes: Significant Substituent, Aromaticity and Base Effects. Yuanyuan Huang, Jiashun Wu, Rulin Qiu, Fangzhou Xu, Jun Zhu*, Dalton Trans. 2020, 49, 17341-17349. DOI: 10.1039/D0DT03527K.

137. Open questions on aromaticity in organometallics. Jun Zhu*, Commun. Chem. 2020, 3, 161. DOI: 10.1038/s42004-020-00419-5.

136. Carbon-halogen bond activation by a structurally constrained phosphorus(III) platform. Penglong Wang, Qin Zhu, Yi Wang, Guixiang Zeng*, Jun Zhu*, Congqing Zhu*, Chin. Chem. Lett. 2020, 31, In Press. DOI: 10.1016/j.cclet.2020.11.005.

135. Chemoselectivity for B–O and B–H Bond Cleavage by Pincer-Type Phosphorus Compounds: Theoretical and Experimental Studies. Qin Zhu, Penglong Wang, Jun Zhu*, Congqing Zhu*, Guixiang Zeng*, Inorg. Chem. 2020, 59, 15636–15645. DOI: 10.1021/acs.inorgchem.0c01920.

134. Facile Dinitrogen and Dioxygen Cleavage by a Uranium(III) Complex: Cooperativity Between the Non‐innocent Ligand and the Uranium Center. Penglong Wang, Iskander Douair, Yue Zhao, Shuao Wang, Jun Zhu, Laurent Maron*, Congqing Zhu*, Angew. Chem. Int. Ed. 202059, Accepted Article. DOI: 10.1002/anie.202012198.

133. Tuning the Properties of Corannulene-Based Polycyclic Aromatic Hydrocarbons by Varying the Fusing Positions of Corannulene. Qi Xu, Chu Wang, Yu Zhao, Dan Zheng, Chengyuan Shao, Weijie Guo, Xuebin Deng, Ying Wang, Xuebo Chen, Jun Zhu, Hua Jiang*, Org. Lett. 2020, 22, 7397-7402. DOI: 10.1021/acs.orglett.0c02754.

132. All-metal Baird aromaticity. Dandan Chen, Dariusz W. Szczepanik, Jun Zhu*, Miquel Solà*, Chem. Commun. 2020, 56, 12522-12525. DOI: 10.1039/D0CC05586G.

131. Adaptive σ‐Aromaticity in an Unsaturated Three-Membered Ring. Yuanyuan Huang, Chenshu Dai, Jun Zhu*, Chem. Asian J. 2020, 15, 3444-3450. DOI: 10.1002/asia.202000900.

130. Screening Borane Species for Dinitrogen Activation. Alvi Muhammad Rouf, Chenshu Dai, Shicheng Dong, Jun Zhu*, Inorg. Chem. 2020, 59, 11770-11781. DOI: 10.1021/acs.inorgchem.0c01754.

129. Iodane‐guided ortho C‐H allylation. Wei W. Chen, Anton Cunillera, Dandan Chen, Sébastien Lethu, Albert López de Moragas, Jun Zhu, Miquel Solà,* Ana B. Cuenca* and Alexandr Shafir*, Angew. Chem. Int. Ed. 202059, 20201-20207. DOI: 10.1002/anie.202009369.

128. Antiaromaticity-Promoted Activation of Dihydrogen with Borole Fused Cyclooctatetraene Frustrated Lewis Pairs: A Density Functional Theory Study. Danling Zhuang, Yuanyuan Li, Jun Zhu*, Organometallics, 2020, 39, 2636-2641. DOI: 10.1021/acs.organomet.0c00263.

127. Adaptive σ Aromaticity and Triplet Ground State in Tetraatomic Boron Species. Chenshu Dai, Yuanyuan Huang, Jun Zhu*, Organometallics, 2020, 39, 2602-2608. DOI: 10.1021/acs.organomet.0c00181.

126. Probing the origin of adaptive aromaticity in 16‐valence‐electron metallapentalenes. Dandan Chen, Dariusz W. Szczepanik, Jun Zhu*, Miquel Solà*, Chem. Eur. J. 2020, 26, 12964-12971. DOI: 10.1002/chem.202001830 (Front Cover, Cover Profile).

125. Achieving Adaptive Aromaticity in Cyclo[10]carbon by Screening Cyclo[n]carbon (n = 8‐24). Chenshu Dai, Dandan Chen, Jun Zhu*, Chem. Asian J. 2020, 15, 2187-2191. DOI: 10.1002/asia.202000528.

124. Singlet Fission in a Pyrrole-Fused Cross-Conjugated Skeleton with Adaptive Aromaticity. Long Wang*, Lu Lin, Jingjing Yang, Yishi Wu, Hua Wang, Jun Zhu*, Jiannian Yao, and Hongbing Fu*, J. Am. Chem. Soc. 2020, 142, 10235–10239. DOI: 10.1021/jacs.0c00089.

123. Reaction Mechanisms on [3 + 2] Cycloaddition of Azides with Metal Carbyne Complexes: Significant Effects of Aromaticity, Substituent, and Metal Center. Qin Zhu, Shuwen Chen, Fangzhou Xu, Jun Zhu*, Inorg. Chem. 2020, 59, 7318-7324. DOI: 10.1021/acs.inorgchem.0c00754.

122. Redox Neutral Radical-Relay Cobalt Catalysis toward C–H Fluorination and Amination. Peng Guo, Yuanyuan Li, Xiang-Gui Zhang, Jun-Fa Han, Yi Yu, Jun Zhu* and Keyin Ye*, Org. Lett. 2020, 22, 3601-3606. DOI: 10.1021/acs.orglett.0c01072.

121. Kinetic Control in the Synthesis of a Möbius Tris((ethynyl)[5]helicene) Macrocycle Using Alkyne Metathesis. Xing Jiang, Summer D. Laffoon, Dandan Chen, Salvador Pérez-Estrada, Andrew S. Danis, Joaquín Rodríguez-López, Miguel A. Garcia-Garibay*, Jun Zhu*, and Jeffrey S. Moore*, J. Am. Chem. Soc. 2020, 142, 6493-6498. DOI: 10.1021/jacs.0c01430.

120. Adaptive aromaticity in ruthenacycles. Dandan Chen, Rulin Qiu, Shicheng Dong, Jun Zhu*, Theor. Chem. Acc. 2020, 139, 21. DOI: 10.1007/s00214-019-2537-8.

119. Are Hetero‐metallapentalenes Aromatic or Not? A DFT Investigation. Qin Zhu, Lu Lin, Rulin Qiu, Jun Zhu*, Chem. Eur. J. 2020, 26, 5381-5387. DOI: 10.1002/chem.202000148 (Front Cover, Cover Profile).

118. Access to tetracyclic aromatics with bridgehead metals via metalla-click reactions. Zhengyu Lu, Qin Zhu, Yuanting Cai, Zhixin Chen, Kaiyue Zhuo, Jun Zhu, Hong Zhang* and Haiping Xia*, Sci. Adv. 2020, 6, eaay2535. DOI: 10.1126/sciadv.aay2535.

117. Probing the Aromaticity and Stability of Metallatricycles by DFT Calculations: Toward Clar Structure in Organometallic Chemistry. Lu Lin, Qin Zhu, Alvi Muhammad Rouf, Jun Zhu*, Organometallics, 2020, 39, 80-86. DOI: 10.1021/acs.organomet.9b00653.

116. Dinitrogen Activation by Tricoordinated Boron Species: A Systematic Design. Alvi Muhammad Rouf, Chenshu Dai, Fangzhou Xu, Jun Zhu*, Adv. Theory Simul. 2020, 3, 1900205. DOI: 10.1002/adts.201900205 (Cover).

115. Theoretical study on the stability and aromaticity in silapentafulvenes towards triplet ground state species. Jiashun Wu, Alvi Muhammad Rouf, Yuanyuan Huang, Danling Zhuang, Jun Zhu*, Phys. Chem. Chem. Phys. 2020, 22, 4668-4676. DOI: 10.1039/C9CP06506G.

114. Formation of Iridium(III) Complexes via Selective Activation of the C–H and N–H Bonds of a Dipyridylpyrrole Ligand. Meng Xue, Dan-Ling Zhuang, Hao Li, Piao He, Chao Liu, Jun Zhu*, Xiao-Yi Yi*, Inorg. Chem. 2020, 59, 960−963. DOI: 10.1021/acs.inorgchem.9b02560.

113. Aromaticity‐promoted CO2 Capture by P/N‐Based Frustrated Lewis Pairs: A Theoretical Study. Danling Zhuang, Alvi Muhammad Rouf, Yuanyuan Li, Chenshu Dai, Jun Zhu*, Chem. Asian J. 2020, 15, 266-272. DOI: 10.1002/asia.201901415.

112. Isotopic Oxygen Exchange between CeO2 and O2: A Heteroexchange Mechanism. Jun Han, Dandan Chen, Jun Zhu*, ChemistrySelect. 2019, 4, 13280-13283. DOI: 10.1002/slct.201903770.

111. Hyperconjugative aromaticity and protodeauration reactivity of polyaurated indoliums. Kui Xiao, Yu Zhao, Jun Zhu*, Liang Zhao*, Nat. Commun. 2019, 10, 5639. DOI: 10.1038/s41467-019-13663-8.

110. Predicting an Antiaromatic Benzene Ring in the Ground State Caused by Hyperconjugation. Yu Zhao, Qiong Xie, Tingting Sun, Jiashun Wu, Jun Zhu*, Chem. Asian J. 2019, 14, 4309-4314. DOI: 10.1002/asia.201901261.

109. Reaction mechanisms of iron(III) catalyzed carbonyl–olefin metatheses in 2,5- and 3,5-hexadienals: significant substituent and aromaticity effects. Dandan Chen, Danling Zhuang, Yu Zhao, Qiong Xie, Jun Zhu*, Org. Chem. Front. 2019, 6, 3917-3924. DOI: 10.1039/C9QO01008D (Front cover).

108. Rhodapentalenes: Pincer Complexes with Internal Aromaticity. Qingde Zhuo, Hong Zhang, Linting Ding, Jianfeng Lin, Xiaoxi Zhou, Yuhui Hua, Jun Zhu, Haiping Xia*, iScience 2019, 19, 1214-1224. DOI: 10.1016/j.isci.2019.08.027.

107. An Unprecedented Ga/P Frustrated Lewis Pair: Synthesis, Characterization, and Reactivity. Xiong Sun, Qin Zhu, Zhuoyi Xie, Wei Su, Jun Zhu* and Congqing Zhu*, Chem. Eur. J. 2019, 25, 14295-14299. DOI: 10.1002/chem.201904081.

106. Cu-Catalyzed Aromatic Metamorphosis of 3-Aminoindazoles. Yao Zhou, Lu Lin, Ya Wang, Jun Zhu* and Qiuling Song*, Org. Lett. 2019, 21, 7630-7634. DOI: 10.1021/acs.orglett.9b02933.

105. Reaction Mechanisms on Unusual 1,2‐Migrations of N‐Heterocyclic Carbene‐Ligated Transition Metal Complexes. Qin Zhu, Lu Lin, Alvi Muhammad Rouf, Jun Zhu*, Chem. Asian J. 2019, 14, 3313-3319. DOI: 10.1002/asia.201900895.

104. Bowl Inversion in an Exo‐type Supramolecule in the Solid State. Yu‐Min Liu, Yu‐Qian Huang, Shun‐He Liu, Dandan Chen, Chun Tang, Zhen‐Lin Qiu, Jun Zhu*, Yuan‐Zhi Tan*, Angew. Chem. Int. Ed. 201958, 13276-13279. DOI: 10.1002/anie.201904329.

103. 3‐Aminoindole Synthesis from 2‐Nitrochalcones and Ammonia or Primary Amines. Guan Zhang, Lu Lin, Kai Yang, Shihui Wang, Qiang Feng, Jun Zhu*, Qiuling Song*, Adv. Synth. Catal. 2019, 361, 3718-3722. DOI: 10.1002/adsc.201900551.

102. Probing Reaction Mechanism of [1,5]‐Migration in Pyrrolium and Pyrrole Derivatives: Activation of a Stronger Bond in Electropositive Groups Becomes Easier. Qiong Xie, Yu Zhao, Dandan Chen, Jun Zhu*, Chem. Asian J. 2019, 14, 2604-2610. DOI: 10.1002/asia.201900440.

101. Aromaticity‐promoted C−F Bond Activation in Rhodium Complex: A Facile Tautomerization. Ting Shen, Qiong Xie, Yuanyuan Li, Jun Zhu*, Chem. Asian J. 2019, 14, 1937-1940. DOI: 10.1002/asia.201900294.

100. Unconventional Aromaticity in Organometallics: The Power of Transition Metals. Dandan Chen, Qiong Xie, and Jun Zhu*, Acc. Chem. Res. 2019, 52, 1449-1460. DOI: 10.1021/acs.accounts.9b00092.

99. Dual Aromaticity in Both the T0 and S1 States: Osmapyridinium with Phosphonium Substituents. Ting Shen, Dandan Chen, Lu Lin, and Jun Zhu*, J. Am. Chem. Soc. 2019, 141, 5720-5727. DOI: 10.1021/jacs.8b11564.

98. Bonded to Carbon or Nitrogen? This is a Question on the Regioselectivity in Hyperconjugative Aromaticity. Tingting Sun, Ping Guo, Qiong Xie, Liang Zhao*, and Jun Zhu*, J. Org. Chem. 2019, 84, 3881-3886. DOI: 10.1021/acs.joc.8b02996. (Cover)

97. Rational Design of a Carbon–Boron Frustrated Lewis Pair for Metal‐free Dinitrogen Activation. Jun Zhu*Chem. Asian J. 201914,  1413-1417. DOI: 10.1002/asia.201900010. (Front Cover)

96. Probing Hyperconjugative Aromaticity of Monosubstituted Cyclopentadienes. Qiong Xie, Tingting Sun, Mesías Orozco‐Ic, Jorge Barroso, Yu Zhao, Gabriel Merino*, Jun Zhu*, Asian J. Org. Chem. 2019, 8, 123-127. DOI: 10.1002/ajoc.201800680.

95. σ‐Aromaticity in a Fully Unsaturated Ring. Jingjing Wu, Xin Liu, Yulei Hao, Hongjiang Chen, Peifeng Su, Wei Wu, Jun Zhu*, Chem. Asian J. 2018, 13, 3691–3696. DOI: 10.1002/asia.201801279. (Front Cover)

94. Nickel Complexes with Non‐innocent Ligands as Highly Active Electrocatalysts for Hydrogen Evolution. Zhixin Chen, Tao Wang, Tingting Sun, Zhiyong Chen, Tian Sheng, Yu‐Hao Hong, Zi‐Ang Nan, Jun Zhu*, Zhi‐You Zhou*, Haiping Xia*, Shi‐Gang Sun*, Chin. J. Chem. 2018, 36, 1161–1164. DOI: 10.1002/cjoc.201800359.

93. Probing the Strongest Aromatic Cyclopentadiene Ring by Hyperconjugation. Qiong Xie, Tingting Sun, Jun Zhu*, Organometallics, 2018, 37, 3219-3224. DOI: 10.1021/acs.organomet.8b00571.

92. An isolable catenane consisting of two Möbius conjugated nanohoops. Yang-Yang Fan, Dandan Chen, Ze-Ao Huang, Jun Zhu*, Chen-Ho Tung, Li-Zhu Wu, Huan Cong*, Nat. Commun. 2018, 9, 3037. DOI: 10.1038/s41467-018-05498-6.

91. Probing the Most Aromatic and Antiaromatic Pyrrolium Rings by Maximizing Hyperconjugation and Push–Pull Effect. Tingting Sun, Qiong Xie, Liang Zhao, Jun Zhu*, Chem. Asian J. 2018, 13, 1419-1423. DOI: 10.1002/asia.201800179. (Front Cover)

90. Predicting an unconventional facile route to metallaanthracenes. Ke An, Jun Zhu*, Dalton Trans. 2018, 47, 5575-5581. DOI: 10.1039/C8DT00455B (Front Cover).

89. Isolation of an Eleven‐Atom Polydentate Carbon‐Chain Chelate Obtained by Cycloaddition of a Cyclic Osmium Carbyne with an Alkyne. Congqing Zhu, Jun Zhu, Xiaoxi Zhou, Qin Zhu, Yuhui Yang, Ting Bin Wen, Haiping Xia*, Angew. Chem. Int. Ed. 2018, 57, 3154-3157. DOI: 10.1002/anie.201713391.

88. Rational Design and Synthesis of Unsaturated Se‐Containing Osmacycles with σ‐Aromaticity. Xiaoxi Zhou, Jingjing Wu, Yulei Hao, Congqing Zhu, Qingde Zhuo, Haiping Xia*, Jun Zhu*, Chem. Eur. J. 2018, 24, 2389-2395. DOI: 10.1002/chem.201703870 (Front Cover, Cover Profile).

87. Adaptive aromaticity in S0 and T1 states of pentalene incorporating 16 valence electron osmium. Dandan Chen, Ting Shen, Ke An, Jun Zhu*, Commun. Chem. 2018, 1, 18. DOI: 10.1038/s42004-018-0018-y.

86. Recent progress in the chemistry of lanthanide-ligand multiple bonds. Qin Zhu, Jun Zhu*, Congqing Zhu*, Tetrahedron Lett. 2018, 59, 514-520. DOI: 10.1016/j.tetlet.2017.12.079.

85. To Be Bridgehead or Not to Be? This is a Question of Metallabicycles on the Interplay between Aromaticity and Ring Strain. Jingjing Wu, Ke An, Tingting Sun, Jinglan Fan, Jun Zhu*, Organometallics, 2017, 36, 4896–4900. DOI: 10.1021/acs.organomet.7b00758.

84. Direct energetic evaluation of aromaticity by cleaving the rings of cyclic compounds. Ke An, Jun Zhu*, J. Organomet. Chem. 2018, 864, 81–87. DOI: 10.1016/j.jorganchem.2018.01.038.

83. Multiyne chains chelating osmium via three metal-carbon σ bonds. Qingde Zhuo, Jianfeng Lin, Yuhui Hua, Xiaoxi Zhou, Yifan Shao, Shiyan Chen, Zhixin Chen, Jun Zhu, Hong Zhang & Haiping Xia*, Nat. Commun. 2017, 8, 1912. DOI: 10.1038/s41467-017-02120-z.

82. Catalytic hydroboration of aldehydes, ketones, alkynes and alkenes initiated by NaOH. Yile Wu*, Changkai Shan, Jianxi Ying, Jue Su, Jun Zhu, Liu Leo Liu*, Yufen Zhao*, Green Chem. 2017, 19, 4169-4175. DOI: 10.1039/C7GC01632H.

81. Craig-Type Möbius Aromaticity and Antiaromaticity in Dimetalla[10]annulenes: A Metal-Induced Yin-and-Yang Pair. Ke An, Ting Shen, and Jun Zhu*, Organometallics, 2017, 36, 3199–3204. DOI: 10.1021/acs.organomet.7b00341.

80. Synthesis and Characterization of a Metallacyclic Framework with Three Fused Five-membered Rings. Congqing Zhu, Jingjing Wu, Shenyan Li, Yuhui Yang, Jun Zhu, Xin Lu, Haiping Xia*, Angew. Chem. Int. Ed. 2017, 56, 9067–9071. DOI: 10.1002/anie.201704057.

79. A theoretical study on the mechanism of ruthenium(II)-catalyzed phosphoryl-directed ortho-selective C–H bond activations: the phosphoryl hydroxy group triggered Ru(II)/Ru(0) catalytic cycle. Peng Chen, Ying Sun, Yile Wu, Liu (Leo) Liu,* Jun Zhu*, Yufen Zhao*, Org. Chem. Front. 2017, 4, 1482–1492. DOI: 10.1039/C7QO00240H (Front Cover).

78. Synthesis and Characterization of Osmium Polycyclic Aromatic Complexes via Nucleophilic Reactions of Osmapentalyne. Qin Zhu, Congqing Zhu, Zhihong Deng, Guomei He*, Jiangxi Chen, Jun Zhu and Haiping Xia*, Chin. J. Chem. 2017, 35, 628–634. DOI: 10.1002/cjoc.201600478.

77. Microsolvation effects on the reactivity of oxy-nucleophiles: the case of gas-phase SN2 reactions of YO-(CH3OH) n=1,2 towards CH3Cl. Yun-Yun Liu, Fang-Zhou Qiu, Jun Zhu, Yi Ren* and Kai-Chung Lau*, J. Mol. Model. 2017, 23, 192. DOI: 10.1007/s00894-017-3351-7.

76. Metallapentalenofurans and Lactone-Fused Metallapentalynes. Zhengyu Lu, Congqing Zhu, Yuanting Cai, Jun Zhu, Yuhui Hua, Zhixin Chen, Jiangxi Chen,* Haiping Xia*, Chem. Eur. J. 2017, 23, 6426–6431. DOI: 10.1002/chem.201700789.

75. Probing a General Rule towards Thermodynamic Stabilities of Mono BN-doped Lower Polyenes. Alvi Muhammad Rouf, Jingjing Wu, Jun Zhu*, Chem. Asian J. 2017, 12, 605–614. DOI: 10.1002/asia.201601753. (Inside Cover)

74. Main group metal–ligand cooperation of N-heterocyclic germylene: an efficient catalyst for hydroboration of carbonyl compounds. Yile Wu,* Changkai Shan, Ying Sun, Peng Chen, Jianxi Ying, Jun Zhu, Liu (Leo) Liu* and Yufen Zhao*, Chem. Commun. 2016, 52, 13799-13802. DOI: 10.1039/C6CC08147A.

73. Mechanism of Nickel-Catalyzed Selective C–N Bond Activation in Suzuki-Miyaura Cross-Coupling of Amides: A Theoretical Investigation. Liu (Leo) Liu, Peng Chen, Ying Sun, Yile Wu, Su Chen, Jun Zhu*, Yufen Zhao*, J. Org. Chem. 2016, 81, 11686-11696. DOI: 10.1021/acs.joc.6b02093.

72. CCCCC pentadentate chelates with planar Möbius aromaticity and unique properties. Congqing Zhu, Caixia Yang, Yongheng Wang, Gan Lin, Yuhui Yang, Xiaoyong Wang, Jun Zhu, Xiaoyuan Chen, Xin Lu*, Gang Liu* and Haiping Xia*, Sci. Adv. 2016, 2, e1601031. DOI: 10.1126/sciadv.1601031.

71. Probing the Origin of Challenge of Realizing Metallaphosphabenzenes: Unfavorable 1,2-Migration in Metallapyridines Becomes Feasible in Metallaphosphabenzenes. Jingjing Wu, Yulei Hao, Jun Zhu*, Sci. Rep. 2016, 6, 28543. DOI: 10.1038/srep28543.

70. Synthesis of tetra- and octa-aurated heteroaryl complexes towards probing aromatic indoliums. Jun Yuan, Tingting Sun, Xin He, Ke An, Jun Zhu*, Liang Zhao*, Nat. Commun. 2016, 7, 11489. DOI: 10.1038/ncomms11489.

69. Isolation of a Heavier Cyclobutadiene Analogue: 2,4-Digerma-1,3-diphosphacyclobutadiene. Yile Wu, Liu Liu*, Jue Su, Jun Zhu, Zhe Ji, Yufen Zhao*, Organometallics 2016, 35, 1593–1596. DOI: 10.1021/acs.organomet.6b00187.

68. Mechanism, catalysis and predictions of 1,3,2-diazaphospholenes: theoretical insight into highly polarized P–X bonds. Liu Liu*, Yile Wu, Peng Chen, Chinglin Chan, Ji Xu, Jun Zhu*, Yufen Zhao*, Org. Chem. Front. 2016, 3, 423-433. DOI: 10.1039/C6QO00002A (Inside Front Cover).

67. Comprehensive Comparison Between the Gas-phase SN2 Reactions at Carbon and at Nitrogen. Yun-Yun Liu, Si-Jia Ren, Jing Huang, Yu-tong Liang, Xi-Guang Wei, Yi Ren*, Kai-Chung Lau*, Jun Zhu, Curr. Org. Chem. 2016, 20, 1058-1068. DOI: 10.2174/1385272820666151026231003.

66. Synthesis of aromatic ruthenabenzothiophenes via C–H activation of thiophenes. Qingde Zhuo, Zhiyong Chen, Yuhui Yang, Xiaoxi Zhou, Feifei Han, Jun Zhu, Hong Zhang*, Haiping Xia*, Dalton Trans. 2016, 45, 913-917. DOI: 10.1039/C5DT04557F.

65. Synthesis of digermylene-stabilized linear tetraboronate and boroxine. Yile Wu, Liu Liu, Jue Su, Kaili Yan, Jun Zhu, Yufen Zhao*, Chem. Commun. 2016, 52, 1582-1585. DOI: 10.1039/C5CC09330A.

64. Unexpected higher stabilisation of two classical antiaromatic frameworks with a ruthenium fragment compared to the osmium counterpart: origin probed by DFT calculations. Jingjing Wu, Yulei Hao, Ke An, Jun Zhu*, Chem. Commun. 2016, 52, 272-275. DOI: 10.1039/C5CC08291A (Inside Back Cover).

63. Triplet State Aromaticity: NICS Criterion, Hyperconjugation, and Charge Effects. Hongchao Sun, Ke An, Jun Zhu*, Chem. Asian J. 2016, 11, 234-240. DOI: 10.1002/asia.201500897. (Back Cover)

62. σ Aromaticity Dominates in the Unsaturated Three-Membered Ring of Cyclopropametallapentalenes from Groups 7–9: A DFT Study. Yulei Hao, Jingjing Wu, Jun Zhu*, Chem. Eur. J. 2015, 21, 18805–18810. DOI: 10.1002/chem.201502390.

61. The Clar Structure in Inorganic BN Analogues of Polybenzenoid Hydrocarbons: Does it Exist or Not? Jingjing Wu, Jun Zhu*, ChemPhysChem 2015, 16, 3806-3813. DOI: 10.1002/cphc.201500811 (Inside Back Cover).

60. Stability, Reactivity, Selectivity, Catalysis, and Predictions of 1,3,2,5-Diazadiborinine: Computational Insight into a Boron–Boron Frustrated Lewis Pair. Liu Liu, Chinglin Chan, Jun Zhu*, Chien-Hong Cheng*, Yufen Zhao*, J. Org. Chem. 2015, 80, 8790–8795. DOI: 10.1021/acs.joc.5b01726.

59. Five-Membered Cyclic Metal Carbyne: Synthesis of Osmapentalynes by the Reactions of Osmapentalene with Allene, Alkyne, and Alkene. Congqing Zhu, Yuhui Yang, Jingjing Wu, Ming Luo, Jinglan Fan, Jun Zhu*, Haiping Xia* Angew. Chem. Int. Ed. 2015, 54, 7189-7192. DOI: 10.1002/anie.201502412.

58. Reactivity of Germylene toward Phosphorus-Containing Compounds: Nucleophilic Addition and Tautomerism. Yile Wu, Liu Liu, Jue Su, Kaili Yan, Tao Wang, Jun Zhu, Xiang Gao, Yuxing Gao*, Yufen Zhao, Inorg. Chem. 2015, 54, 4423−4430. DOI: 10.1021/acs.inorgchem.5b00205.

57. Synthesis of Aromatic Aza-metallapentalenes from Metallabenzene via Sequential Ring Contraction/Annulation. Tongdao Wang, Feifei Han, Haiping Huang, Jinhua Li, Hong Zhang*, Jun Zhu, Zhenyang Lin*, Haiping Xia* Sci. Rep. 2015, 5, 9584. DOI: 10.1038/srep09584.

56. Stabilizing Two Classical Antiaromatic Frameworks: Demonstration of Photoacoustic Imaging and the Photothermal Effect in Metalla-aromatics. Congqing Zhu, Yuhui Yang, Ming Luo, Caixia Yang, Jingjing Wu, Lina Chen, Gang Liu, Tingbin Wen, Jun Zhu*, Haiping Xia* Angew. Chem. Int. Ed. 2015, 54, 6181-6185. DOI: 10.1002/anie.201501349 (Cover).

55. Probing the reactivity of microhydrated α-nucleophile in the anionic gas-phase SN2 reaction. Wen-Yang Zhao, Jie Yu, Si-Jia Ren, Xi-Guang Wei, Fang-Zhou Qiu, Peng-Hui Li, He Li, Yi-Peng Zhou, Chang-Zhen Yin, An-Pu Chen, Hao Li, Lei Zhang, Jun Zhu, Yi Ren,* Kai-Chung Lau* J. Comput. Chem. 2015, 36, 844–852. DOI: 10.1002/jcc.23862.

54. σ-Aromaticity in an Unsaturated Ring: Osmapentalene Derivatives Containing a Metallacyclopropene Unit. Congqing Zhu, Xiaoxi Zhou, Hongjie Xing, Ke An, Jun Zhu*, Haiping Xia* Angew. Chem. Int. Ed. 2015, 54, 3102–3106. DOI: 10.1002/anie.201411220.

53. Unexpected 1,2-Migration in Metallasilabenzenes: Theoretical Evidence for Reluctance of Silicon to Participate in π Bonding. Ying Huang, Jun Zhu*, Chem. Asian J. 2015, 10, 405–410. DOI: 10.1002/asia.201402992 (Back Cover).

52. Why Does Activation of the Weaker C═S Bond in CS2 by P/N-Based Frustrated Lewis Pairs Require More Energy Than That of the C═O Bond in CO2? A DFT Study. Ke An, Jun Zhu* Organometallics 2014, 33, 7141–7146. DOI: 10.1021/om5009346.

51. Interconversion between Ruthenacyclohexadiene and Ruthenabenzene: A Combined Experimental and Theoretical Study. Hong Zhang*, Ran Lin, Jinhua Li, Jun Zhu, Haiping Xia, Organometallics 2014, 33, 5606–5609. DOI: 10.1021/om500550a.

50. Theoretical study on the interconversion of silabenzenes and their monocyclic non-aromatic isomers via the [1,3]-substituent shift: Interplay of aromaticity and Bent's rule. Xuerui Wang, Ying Huang, Ke An, Jinglan Fan, Jun Zhu*, J. Organomet. Chem. 2014, 770, 146–150. DOI: 10.1016/j.jorganchem.2014.08.018.

49. The phosphaethynolate anion reacts with unsaturated bonds: DFT investigations into [2+2], [3+2] and [4+2] cycloadditions. Liu Liu, Jun Zhu*, Yufen Zhao*, Chem. Commun. 2014, 50, 11347–11349. DOI: 10.1039/C4CC04610B.

48. Mechanistic Insight into the Copper-Catalyzed Phosphorylation of Terminal Alkynes: A Combined Theoretical and Experimental Study. Liu Liu, Yile Wu, Zeshu Wang, Jun Zhu*, Yufen Zhao*, J. Org. Chem. 2014, 79, 6816–6822. DOI: 10.1021/jo5007174.

47. Pd-catalyzed highly regio-, diastereo-, and enantioselective allylic alkylation of α-fluorophosphonates. Ying Huang, Qing-Song Zhang, Ping Fang,* Tie-Gen Chen, Jun Zhu, Xue-Long Hou*, Chem. Commun. 2014, 50, 6751–6753. DOI: 10.1039/C4CC02158D.

46. Mechanism, Reactivity, and Selectivity in Rh(III)-Catalyzed Phosphoryl-Directed Oxidative C–H Activation/Cyclization: A DFT Study. Liu Liu, Yile Wu, Tao Wang, Xiang Gao, Jun Zhu*, Yufen Zhao*, J. Org. Chem. 2014, 79, 5074–5081. DOI: 10.1021/jo500616g.

45. Concerted or Stepwise Mechanism? New Insight into the Water-Mediated Neutral Hydrolysis of Carbonyl Sulfide. Xiao-Hong Li, Si-Jia Ren, Xi-Guang Wei, Yi Zeng, Guo-Wei Gao, Yi Ren*, Jun Zhu, Kai-Chung Lau*, Wai-Kee Li, J. Phys. Chem. A 2014, 118, 3503–3513. DOI: 10.1021/jp5021559.

44. G2(+)M Study on N-Alkylamino Cation Affinities of Neutral Main-Group Element Hydrides: Trends Across the Periodic Table. Song Geng, Ding-Lu Wu, Jing Yang, Xi-Guang Wei, Jun Zhu, Hai-Bo Zhang, Yi Ren*, Kai-Chung Lau*, J. Phys. Chem. A 2014, 118, 3351–3359. DOI: 10.1021/jp501644u.

43. A Metal-Bridged Tricyclic Aromatic System: Synthesis of Osmium Polycyclic Aromatic Complexes. Congqing Zhu, Qin Zhu, Jinglan Fan, Jun Zhu, Xumin He, Xiao-Yu Cao*, Haiping Xia* Angew. Chem. Int. Ed. 2014, 53, 6232–6236. DOI: 10.1002/anie.201403245.

42. Unconventional Facile Way to Metallanaphthalenes from Metal Indenyl Complexes Predicted by DFT Calculations: Origin of Their Different Thermodynamics and Tuning Their Kinetics by Substituents. Jinglan Fan, Xuerui Wang, Jun Zhu*, Organometallics 2014, 33, 2336–2340. DOI: 10.1021/om500245q.

41. Theoretical study on the stability of osmasilabenzynes. Ying Huang, Xuerui Wang, Ke An, Jinglan Fan, Jun Zhu*, Dalton Trans. 2014, 43, 7570–7576. DOI: 10.1039/C3DT53528B.

40. Evaluation of Triplet Aromaticity by the Indene–Isoindene Isomerization Stabilization Energy Method. Ke An, Jun Zhu*, Eur. J. Org. Chem. 2014, 2764–2769. DOI: 10.1002/ejoc.201301810.

39. Theoretical Study on the Stability and Aromaticity of Metallasilapentalynes. Xuerui Wang, Congqing Zhu, Haiping Xia*, Jun Zhu*, Organometallics 2014, 33, 1845–1850. DOI: 10.1021/om500170w.

38. In Search of Flexible Molecular Wires with Near Conformer-Independent Conjugation and Conductance: A Computational Study. Rikard Emanuelsson, Henrik Löfås, Jun Zhu, Rajeev Ahuja, Anton Grigoriev*, Henrik Ottosson*, J. Phys. Chem. C 2014, 118, 5637–5649. DOI: 10.1021/jp409767r.

37. Planar Möbius aromatic pentalenes incorporating 16 and 18 valence electron osmiums. Congqing Zhu, Ming Luo, Qin Zhu, Jun Zhu*, Paul v. R. Schleyer, Judy I-Chia Wu, Xin Lu and Haiping Xia*, Nat. Commun. 2014, 5, 3265. DOI: 10.1038/ncomms4265.

36. Computations Offer an Unconventional Route to Metallaphosphabenzene from a Half-Phosphametallocene. Chao Huang, Yulei Hao, Yufen Zhao*, Jun Zhu*, Organometallics 2014, 33, 817–822. DOI: 10.1021/om401188v.

35. Double Role of the Hydroxy Group of phosphoryl in Palladium(II)-catalyzed ortho-Olefination: A Combined Experimental and Theoretical Investigation. Liu Liu, Hang Yuan, Tingting Fu, Tao Wang, Xiang Gao, Zhiping Zeng, Jun Zhu*, Yufen Zhao*, J. Org. Chem. 2014, 79, 80–87. DOI: 10.1021/jo402307x.

34. Synthesis of Five-Membered Osmacycloallenes and Conversion into Six-Membered Osmacycloallenes. Tongdao Wang, Jun Zhu, Feifei Han, Chen Zhou, Hanyu Chen, Hong Zhang*, Haiping Xia*, Angew. Chem. Int. Ed. 2013, 52, 13361–13364. DOI: 10.1002/anie.201306911.

33. Interconversion of Metallanaphthalynes and Indenylidene Complexes: A DFT Prediction. Jinglan Fan, Ke An, Xuerui Wang, Jun Zhu*, Organometallics 2013, 32, 6271−6276.

32. Mechanistic Insight into the CO2 Capture by Amidophosphoranes: Interplay of the Ring Strain and the trans Influence Determines the Reactivity of the Frustrated Lewis Pairs. Jun Zhu*, Ke An, Chem. Asian J. 2013, 8, 3147 – 3151.

31. Stabilization of anti-aromatic and strained five-membered rings with a transition metal. Congqing Zhu, Shunhua Li, Ming Luo, Xiaoxi Zhou, Yufen Niu, Minglian Lin, Jun Zhu*, Zexing Cao, Xin Lu, Tingbin Wen, Zhaoxiong Xie, Paul v. R. Schleyer, Haiping Xia*, Nat. Chem. 2013, 5, 698-703.

30. Facile η5η1 Ring Slippage of the Cycloolefin Ligands in Osmocene and Bis(η5‑indenyl)ruthenium(II). Waiman Cheung, Enrique Kwan Huang, Jun Zhu*, Xiaoyi Yi, Herman H. Y. Sung, Ian D. Williams, Wahung Leung*, Inorg. Chem. 2013, 52, 10449−10455. 

29. Mechanistic Insight into the Nickel-Catalyzed Cross-Coupling of Aryl Phosphates with Arylboronic Acids: Potassium Phosphate is Not a Spectator Base but is Involved in the Transmetalation Step in the Suzuki–Miyaura Reaction. Liu Liu, Shuangyan Zhang, Hu Chen, Ye Lv, Jun Zhu*, Yufen Zhao*, Chem. Asian J. 2013, 8, 2592 – 2595.

28. Evaluation of Triplet Aromaticity by the Isomerization Stabilization Energy. Jun Zhu*, Ke An, Paul von Ragué Schleyer, Org. Lett. 2013, 15, 2442-2445.

27. Aromaticity Effects on the Profiles of the Lowest Triplet-State Potential-Energy Surfaces for Rotation about the C=C Bonds of Olefins with Five-Membered Ring Substituents: An Example of the Impact of Baird’s Rule. Jun Zhu, Heather A. Fogarty, Helene Möllerstedt, Maria Brink, Henrik Ottosson*, Chem. Eur. J. 2013, 19, 10698 – 10707.

26. One-Pot Synthesis of Pyrazoles through a Four-Step Cascade Sequence. Lu Hao, Jun-Jie Hong, Jun Zhu, and Zhuang-Ping Zhan*, Chem. Eur. J. 2013, 19, 5715 – 5720.

25. Significant Effect of Spin Flip on the Oxygen Atom Transfer Reaction from (Oxo)manganese(v) Corroles to Thioanisole: Insights from Density Functional Calculations. Chun Zhu, Jinxia Liang, Binju Wang, Jun Zhu, Zexing Cao*, Phys. Chem. Chem. Phys., 2012, 14, 12800–12806.

24. Conversions of Osmabenzyne and Isoosmabenzene. Qianyi Zhao, Jun Zhu, Ziao Huang, Xiaoyu Cao,* and Haiping Xia*, Chem. Eur. J. 2012, 18, 11597 – 11603.

23. Silicon-Containing Formal 4p-Electron Four-Membered Ring Systems: Antiaromatic, Aromatic, or Nonaromatic? Yunfang Yang, Guijuan Cheng, Jun Zhu, Xinhao Zhang*, Shigeyoshi Inoue*, Yun-Dong Wu*, Chem. Eur. J. 2012, 18, 7516 – 7524.

22. Stable Iso-osmabenzenes from a Formal [3+3] Cycloaddition Reaction of Metal Vinylidene with Alkynols. Qianyi Zhao, Lei Gong, Chunfa Xu, Jun Zhu*, Xumin He, Haiping Xia*, Angew. Chem. Int. Ed. 2011, 50, 1354–1358.

21. Ni(II)/Zn Catalyzed Reductive Coupling of Aryl Halides with Diphenylphosphine Oxide in Water. Xinghua Zhang, Huizhi Liu, Xiaomei Hu, Guo Tang*, Jun Zhu*, Yufen Zhao, Org. Lett. 2011, 13, 3478-3481.

20. Fragmentation of Pentacoordinate Spirobicyclic Aminoacyl-Phosphranes (P-AAs) by Electrospray Ionization Tandem Mass Spectrometry Concerning P–O and P–N Bond Cleavage. Xiaomei Hu, Xiang Gao, Jun Zhu*, Zhiping Zeng, Xinghua Zhang, Zhiwei Lin, Pengxiang Xu,* Yan Liu, Yufen Zhao, Rapid Commun. Mass Spectrom. 2011, 25, 3151–3160  

19. Interpolation of Atomically Thin Hexagonal Boron Nitride and Graphene: Electronic Structure and Thermodynamic Stability in Terms of All-Carbon Conjugated Paths and Aromatic Hexagons. Jun Zhu, Sumanta Bhandary, Biplab Sanyal*, Henrik Ottosson*, J. Phys. Chem. C 2011, 115, 10264–10271.

18. An Isotope (18O, 15N, and 2H) Technique to Investigate the Metal Ion Interactions Between the Phosphoryl Group and Amino Acid Side Chains by Electrospray Ionization Mass Spectrometry. Xiang Gao, Xiaomei Hu, Jun Zhu, Zhiping Zeng, Daxiong Han, Guo Tang, Xiantong Huang, Pengxiang Xu,* Yufen Zhao, J. Am. Soc. Mass Spectrom. 2011, 22, 689-702.

17. On the Importance of Clar Structures of Polybenzenoid Hydrocarbons as Revealed by the π-Contribution to the Electron Localization Function. Jun Zhu, Christian Dahlstrand, Joshua R. Smith, Sébastien Villaume, Henrik Ottosson*, Symmetry 2010, 2, 1653-1682.

16. Insertion Reactions of Allenes with Palladium Aryl Complexes [PdI(Ph)(PPh3)]2 and PdI(Ph)(dppe). Tao Bai, Liqin Xue, Peng Xue, Jun Zhu, Herman H. Y. Sung, Shengming Ma,* Ian D. Wiliams, Zhenyang Lin,* and Guochen Jia*, Organometallics 2008, 27, 2614–2626.

15. A Metallanaphthalyne Complex from Zinc Reduction of a Vinylcarbyne Complex. Guomei He, Jun Zhu, Wai Yiu Hung, Tingbin Wen, Herman H. Y. Sung, Ian D. Williams, Zhenyang Lin,* Guochen Jia*, Angew. Chem. Int. Ed. 2007, 46, 9065 –9068.

14. Ligand Effect on the Insertion Reactions of Allenes with MHCl(CO)(PPh3)3 and MHCl(PPh3)3 (M = Ru, Os). Tao Bai, Jun Zhu, Peng Xue, Herman H. Y.  Sung, Ian D. Williams, Shengming Ma,* Zhenyang Lin,* Guochen Jia*, Organometallics 2007, 26, 5581-5589.

13. Understanding Nonplanarity in Metallabenzene Complexes. Jun Zhu, Guochen Jia,* Zhenyang Lin*, Organometallics 2007, 26, 1986-1995.

12. Osmabenzenes from the Reactions of a Dicationic Osmabenzyne Complex. Wai Yiu Hung, Jun Zhu, Tingbin Wen, Ka Po Yu, Herman H. Y. Sung, Ian D. Williams, Zhenyang Lin*, Guochen Jia*, J. Am. Chem. Soc. 2006, 128, 13742-13752.

11. Reactions of [Cp*Ru(H2O)(NBD)]+ with Dihydrogen, Silanes, Olefins, Alkynes, and Allenes. Peng Xue, Jun Zhu, Sheng Hua Liu, Xin Huang, Weng Sang Ng, Herman H. Y. Sung, Ian D. Williams, Zhenyang Lin,* Guochen Jia*, Organometallics 2006, 25, 2344-2354.

10. Theoretical Investigation of Alkyne Metathesis Catalyzed by W/Mo Alkylidyne Complexes. Jun Zhu, Guochen Jia,* Zhenyang Lin*, Organometallics 2006, 25, 1812-1819.

09. Activation of the S-S Bonds of Alkyl Disulfides RSSR (R = Me, Et, Pr, Bun) by Heterodinuclear Phosphido-Bridged CpW(CO)2(m-PPh2)Mo(CO)5. Md. Munkir Hossain, Hsiu-Mei Lin, Jun Zhu, Zhenyang Lin,* Shin-Guang Shyu*, Organometallics 2006, 25, 440-446.

08. Trans Influence of Boryl Ligands and Comparison with C, Si, and Sn Ligands. Jun Zhu, Zhenyang Lin*, Inorg. Chem. 2005, 44, 9384-9390.

07. Insertion Reactions of Allenes Giving Vinyl Complexes. Peng Xue, Jun Zhu, Herman S. Y. Hung, Ian D. Williams, Zhenyang Lin,* Guochen Jia*, Organometallics, 2005, 24, 4896-4898.

06. Requirement for an Oxidant in Pd/Cu Co-Catalyzed Terminal Alkyne Homocoupling to Give Symmetrical 1,4-Disubstituted 1,3-Diynes. Andrei S. Batsanov, Jonathan C. Collings, Ian J. S. Fairlamb,* Jason P. Holland, Judith A. K. Howard, Zhenyang Lin, Todd B. Marder,* Alex C. Parsons, Richard M. Ward, Jun Zhu, J. Org. Chem. 2005, 70, 703-706.

05. Reactions of Hydrotris(pyrazolyl)borate (Tp)-Supported Ruthenium Dihydrogen Complexes [TpRu(L2)(H2)]+ (L2 = dppm, dppp, (PPh3)2) with O2. Man Lok Man, Jun Zhu, Siu Man Ng, Zhongyuan Zhou, Chuanqi Yin, Zhenyang Lin,* Chak Po Lau*, Organometallics 2004, 23, 6214-6220.

04. b-Hydrogen Elimination of Five-Membered-Ring Metallacycles. Is It Possible? Xin Huang, Jun Zhu, Zhenyang Lin*, Organometallics 2004, 23, 4154-4159

03. Theoretical Study on Reactions of O3+ and N2: Novel Routes to Dinitrogen bond Activation. Jun Zhu, Zexing Cao,* Qianer Zhang, Chem. Phys. Lett. 2003, 377,184-188.

02. Static Polarizabilities of Copper Cluster Monocarbonyls CunCO (n = 2-13) and Selectivity of CO Adsorption on Copper Clusters. Zexing Cao,* Yanjin Wang, Jun Zhu, Wei Wu, Qianer Zhang, J. Phys. Chem. B 2002, 106, 9649-9654.

01. Theoretical Studies on Structures and Spectroscopic Properties of Nitryl Halogenides. Jun Zhu, Zexing Cao,* Qianer Zhang, Acta Chim. Sin. 2002, 60, 1040-1044.

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