Works by Wang, Xueye

Results: 60

Theoretical investigation on cis-trans isomerisation of azaphosphatriptycene- based molecular gear.

Published in:

Supramolecular Chemistry, 2020, v. 32, n. 11, p. 569, doi. 10.1080/10610278.2020.1842406

By:

Jia, Zishang;
Guan, Qiuping;
Wang, Hailong;
Wang, Xueye

Publication type:

Article

Theoretical design of a fluorescence sensor with configuration-transformed metal ion recognition of aza-18-crown-6.

Published in:

Supramolecular Chemistry, 2019, v. 31, n. 6, p. 402, doi. 10.1080/10610278.2019.1609680

By:

Li, Zhongliang;
Zhang, Ying;
Liang, Zhongshuai;
Wang, Xueye

Publication type:

Article

Theoretical study on conformational features and cation-binding properties of a diquinone calix[4]arene.

Published in:

Supramolecular Chemistry, 2014, v. 26, n. 1, p. 32, doi. 10.1080/10610278.2013.817675

By:

Xia, Yong;
Wang, Xueye

Publication type:

Article

Strontium isoscape of sub-Saharan Africa allows tracing origins of victims of the transatlantic slave trade.

Published in:

Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-55256-0

By:

Wang, Xueye;
Bocksberger, Gaëlle;
Arandjelovic, Mimi;
Agbor, Anthony;
Angedakin, Samuel;
Aubert, Floris;
Ayimisin, Emmanuel Ayuk;
Bailey, Emma;
Barubiyo, Donatienne;
Bessone, Mattia;
Bobe, René;
Bonnet, Matthieu;
Boucher, Renée;
Brazzola, Gregory;
Brewer, Simon;
Lee, Kevin C.;
Carvalho, Susana;
Chancellor, Rebecca;
Cipoletta, Chloe;
Cohen, Heather

Publication type:

Article

Diet along the eastern Silk Roads: an isotopic case study of ancient humans and livestock from the Han-Jin Dynasties in the Lop Nur region, northwest China.

Published in:

Archaeological & Anthropological Sciences, 2024, v. 16, n. 10, p. 1, doi. 10.1007/s12520-024-02068-4

By:

Wang, Xueye;
Li, Kangkang;
Wei, Dong;
Zhang, Guiying;
Hu, Xingjun;
Feng, Jing;
Jiao, Yingxin;
Xu, Bing;
Qin, Xiaoguang;
Oelze, Vicky M.;
Tang, Zihua

Publication type:

Article

Human mobility in the Lop Nur region during the Han-Jin Dynasties: a multi-approach study.

Published in:

Archaeological & Anthropological Sciences, 2020, v. 12, n. 1, p. 1, doi. 10.1007/s12520-019-00956-8

By:

Wang, Xueye;
Shen, Hui;
Wei, Dong;
Hu, Xingjun;
Xu, Bing;
Qin, Xiaoguang;
Tang, Zihua

Publication type:

Article

Topographic growth of the northeastern Tibetan Plateau during the middle‐late Miocene: Insights from integrated provenance analysis in the NE Qaidam Basin.

Published in:

Basin Research, 2021, v. 33, n. 6, p. 3212, doi. 10.1111/bre.12600

By:

Li, Chaopeng;
Zheng, Dewen;
Zhou, Renjie;
Wang, Weitao;
Yu, Jingxing;
Liu, Caicai;
Wang, Yizhou;
Pang, Jianzhang;
Ma, Yan;
Hao, Yuqi;
Li, Youjuan;
Wang, Xueye

Publication type:

Article

Theoretical study of switching characteristics of molecular tweezers based on bis(Zn-salphen).

Published in:

Journal of Molecular Modeling, 2020, v. 26, n. 10, p. 1, doi. 10.1007/s00894-020-04527-w

By:

Li, Hui;
Guan, Qiuping;
Jia, Zishang;
Wang, Xueye

Publication type:

Article

Theoretical study on noncovalent interaction of molecular tweezers by Zn(II) salphen-azo-crown ether triads receptor.

Published in:

Journal of Molecular Modeling, 2020, v. 26, n. 2, p. 1, doi. 10.1007/s00894-020-4301-3

By:

Li, Hui;
Zheng, Xin;
Jia, Zishang;
Wang, Xueye

Publication type:

Article

Theoretical study of an anti-Markovnikov addition reaction catalyzed by β-cyclodextrin.

Published in:

Journal of Molecular Modeling, 2018, v. 24, n. 4, p. 1, doi. 10.1007/s00894-018-3595-x

By:

Quan, Xiesi;
Yi, Shanfeng;
Wang, Xueye

Publication type:

Article

DFT study on the effects of catalysis by β-cyclodextrin in the reaction of p-nitrophenyl acetate.

Published in:

Journal of Molecular Modeling, 2017, v. 23, n. 1, p. 1, doi. 10.1007/s00894-016-3197-4

By:

Cheng, Yamei;
Wang, Xueye;
Li, Weiwei;
Chang, Dan

Publication type:

Article

DFT study on the effects of β-cyclodextrin in synthesis of 2-phenylbenzimidazole via benzaldehyde and o-phenylenediamine.

Published in:

Journal of Molecular Modeling, 2016, v. 22, n. 12, p. 1, doi. 10.1007/s00894-016-3161-3

By:

Cheng, Yamei;
Wang, Xueye;
Li, Weiwei;
Chang, Dan

Publication type:

Article

The reactivity of phenancyl bromide under β-cyclodextrin as supramolecular catalyst: a computational survey.

Published in:

Journal of Molecular Modeling, 2015, v. 21, n. 5, p. 1, doi. 10.1007/s00894-015-2680-7

By:

Wan, Yali;
Wang, Xueye;
Liu, Na

Publication type:

Article

DFT study of the per-6-amino-β-cyclodextrin as catalyst in synthesis of 2-aryl-2,3-dihydro-4-quinolones.

Published in:

Journal of Molecular Modeling, 2014, v. 20, n. 9, p. 1, doi. 10.1007/s00894-014-2431-1

By:

Wan, Yali;
Wang, Xueye;
Liu, Na

Publication type:

Article

Interaction of β-cyclodextrin as catalyst with acetophenone in asymmetric reaction: a theoretical survey.

Published in:

Journal of Molecular Modeling, 2014, v. 20, n. 6, p. 1, doi. 10.1007/s00894-014-2268-7

By:

Wan, Yali;
Wang, Xueye;
Liu, Na

Publication type:

Article

Computational investigation of a new ion-pair receptor for calix[4]pyrrole.

Published in:

Journal of Molecular Modeling, 2012, v. 18, n. 6, p. 2291, doi. 10.1007/s00894-011-1243-9

By:

Xia, Yong;
Wang, Xueye;
Zhang, Yu;
Luo, Benhua;
Liu, Yi

Publication type:

Article

Theoretical study of crown ethers with incorporated azobenzene moiety.

Published in:

Journal of Molecular Modeling, 2012, v. 18, n. 3, p. 963, doi. 10.1007/s00894-011-1132-2

By:

Miao, Yuan;
Wang, Xueye;
Ouyang, Dan

Publication type:

Article

Density functional theory study of the potassium complexation of an unsymmetrical 1,3-alternate calix[4]-crown-5- N-azacrown-5 bearing two different crown rings.

Published in:

Journal of Molecular Modeling, 2011, v. 17, n. 10, p. 2659, doi. 10.1007/s00894-010-0945-8

By:

Zheng, Xiaoyan;
Wang, Xueye;
Shen, Keqi;
Miao, Yuan;
Ouyang, Dan

Publication type:

Article

Theoretical study on interactions of β-cyclodextrin with helicobacter pylori eradicating agent ( TG44).

Published in:

Journal of Molecular Modeling, 2011, v. 17, n. 4, p. 913, doi. 10.1007/s00894-010-0781-x

By:

Xin Jin;
Xueye Wang;
Cuihuan Ren;
Yuan Miao;
Ling Yi

Publication type:

Article

Theoretical study on the thermal decomposition of model compounds for Poly (dialkyl fumarate).

Published in:

Journal of Molecular Modeling, 2009, v. 15, n. 9, p. 1043, doi. 10.1007/s00894-009-0457-6

By:

Yanling Wang;
Xueye Wang;
Liming Liu;
Xinyu Peng

Publication type:

Article

Modeling the spontaneous initiation of the polymerization of methyl methacrylate.

Published in:

Journal of Molecular Modeling, 2008, v. 14, n. 11, p. 1053, doi. 10.1007/s00894-008-0344-6

By:

Zhang, Cuili;
Wang, Xueye;
Liu, Liming;
Wang, Yanling;
Peng, Xinyu

Publication type:

Article

DFT-based theoretical QSPR models of Q-e parameters for the prediction of reactivity in free-radical copolymerizations.

Published in:

Journal of Molecular Modeling, 2008, v. 14, n. 11, p. 1065, doi. 10.1007/s00894-008-0339-3

By:

Yu, Xinliang;
Liu, Wanqiang;
Liu, Fang;
Wang, Xueye

Publication type:

Article

DFT study of new bipyrazole derivatives and their potential activity as corrosion inhibitors.

Published in:

Journal of Molecular Modeling, 2007, v. 13, n. 1, p. 147

By:

Hengliang Wang;
Xueye Wang;
Hanlu Wang;
Ling Wang;
Aihong Liu

Publication type:

Article

Strontium isotopes track female dispersal in Taï chimpanzees.

Published in:

American Journal of Biological Anthropology, 2024, v. 184, n. 4, p. 1, doi. 10.1002/ajpa.24981

By:

Boucher, Renee D.;
Wittig, Roman M.;
Lemoine, Sylvain R. T.;
Maro, Aleksey;
Wang, Xueye;
Koch, Paul L.;
Oelze, Vicky M.

Publication type:

Article

Theoretical study on the stability, electronic, mechanical, vibrational and thermodynamic properties of rare-earth intermetallic compound Rh3Ce.

Published in:

Molecular Simulation, 2019, v. 45, n. 1, p. 40, doi. 10.1080/08927022.2018.1526379

By:

Qing, Wei;
Peng, Jiayuan;
Wang, Xueye

Publication type:

Article

First principles investigation of pressure dependent stability, phonon, Debye temperature, physical, mechanical and thermodynamic properties of Rh3Al intermetallic compound.

Published in:

Molecular Simulation, 2018, v. 44, n. 18, p. 1554, doi. 10.1080/08927022.2018.1521969

By:

Qing, Wei;
Peng, Jiayun;
Wang, Xueye

Publication type:

Article

DFT Study for a Series of Less-Symmetrical Crown Ethers and Their Complexes with Alkali Metal Cations.

Published in:

Chinese Journal of Chemistry, 2010, v. 28, n. 10, p. 1835, doi. 10.1002/cjoc.201090307

By:

Miao, Yuan;
Wang, Xueye;
Jin, Xin;
Yi, Ling;
Ren, Cuihuan

Publication type:

Article

Enhancing oxidants activation by transition metal-modified catalytic membranes for wastewater treatment.

Published in:

Research on Chemical Intermediates, 2023, v. 49, n. 2, p. 655, doi. 10.1007/s11164-022-04895-3

By:

Yi, Qiuying;
Li, Zhouyan;
Li, Jiayi;
Zhou, Jiahui;
Li, Xuesong;
Dai, Ruobin;
Wang, Xueye

Publication type:

Article

Density functional theory study of a molecular allosteric switch for 2,2′-bipyridyl-3,3′-15-crown-5.

Published in:

Journal of Computational Chemistry, 2011, v. 32, n. 3, p. 406, doi. 10.1002/jcc.21627

By:

Miao, Yuan;
Wang, Xueye;
Jin, Xin;
Yi, Ling;
Ren, Cuihuan

Publication type:

Article

Molecular design of a “molecular syringe” mimic for metal cations using a 1,3-alternate calix[4]arene cavity.

Published in:

Journal of Computational Chemistry, 2010, v. 31, n. 11, p. 2143, doi. 10.1002/jcc.21503

By:

XIAOYAN ZHENG;
XUEYE WANG;
KEQI SHEN;
NUANQING WANG;
YUEMING PENG

Publication type:

Article

Density functional theory study of calix[4]arene-N-azacrown-5, calix[4]arene-N-phenyl-azacrown-5, and their complexes with alkali-metal cations: Na+, K+, and Rb+.

Published in:

Journal of Computational Chemistry, 2010, v. 31, n. 7, p. 1458, doi. 10.1002/jcc.21430

By:

XIAOYAN ZHENG;
XUEYE WANG;
SHANFENG YI;
NUANQING WANG;
YUEMING PENG

Publication type:

Article

Density functional theory study of the free and tetraprotonated spheroidal macrotricyclic ligands and the complexes with halide anions: F-, Cl-, Br-.

Published in:

Journal of Computational Chemistry, 2010, v. 31, n. 4, p. 871, doi. 10.1002/jcc.21352

By:

XIAOYAN ZHENG;
XUEYE WANG;
SHANFENG YI;
NUANQING WANG;
YUEMING PENG

Publication type:

Article

DFT study of the carbon- and nitrogen-pivot lariat crown ethers and their complexes with alkali metal cations: Na+, K+.

Published in:

Journal of Computational Chemistry, 2009, v. 30, n. 16, p. 2674, doi. 10.1002/jcc.21282

By:

XIAOYAN ZHENG;
XUEYE WANG;
SHANFENG YI;
NUANQING WANG;
YUEMING PENG

Publication type:

Article

DFT study of the cryptand and benzocryptand and their complexes with alkali metal cations: Li+, Na+, K+.

Published in:

Journal of Computational Chemistry, 2008, v. 29, n. 9, p. 1423, doi. 10.1002/jcc.20903

By:

Xueye Wang;
Hengliang Wang;
Yuanqiang Tan

Publication type:

Article

Prediction of refractive index of vinyl polymers by using density functional theory.

Published in:

Journal of Computational Chemistry, 2007, v. 28, n. 14, p. 2336, doi. 10.1002/jcc.20752

By:

Yu, Xinliang;
Yi, Bing;
Wang, Xueye

Publication type:

Article

Prediction of Glass Transition Temperatures for Polystyrenes by a Four-Descriptors QSPR Model.

Published in:

Macromolecular Theory & Simulations, 2006, v. 15, n. 1, p. 94, doi. 10.1002/mats.200500057

By:

Xinliang Yu;
Xueye Wang;
Xiaobing Li;
Jinwei Gao;
Hanlu Wang

Publication type:

Article

Theoretical research on molecular motors based on 4,5‐diazafluorenyl coordination motifs.

Published in:

Journal of Physical Organic Chemistry, 2021, v. 34, n. 12, p. 1, doi. 10.1002/poc.4277

By:

Guan, Qiuping;
Wang, Hailong;
Wang, Xueye

Publication type:

Article

Theoretical research of second generation molecular motor with unidirectional rotary motion.

Published in:

Journal of Physical Organic Chemistry, 2021, v. 34, n. 5, p. 1, doi. 10.1002/poc.4175

By:

Guan, Qiuping;
Wang, Hailong;
Wang, Xueye

Publication type:

Article

Theoretical investigation of a cation‐controllable molecular shuttle of tetracationic cyclophane.

Published in:

Journal of Physical Organic Chemistry, 2020, v. 33, n. 3, p. N.PAG, doi. 10.1002/poc.4036

By:

Liang, Zhongshuai;
Zheng, Xin;
Wang, Hailong;
Wang, Xueye

Publication type:

Article

Theoretical design on molecular tweezers of sodium cyanide by zinc porphyrin‐azo‐crown ether triads receptor.

Published in:

Journal of Physical Organic Chemistry, 2019, v. 32, n. 8, p. N.PAG, doi. 10.1002/poc.3963

By:

Li, Hui;
Zhang, Ying;
Jia, Zishang;
Wang, Xueye

Publication type:

Article

Self-Adaptive Inertial Projection and Contraction Algorithm for Monotone Variational Inequality.

Published in:

Asia-Pacific Journal of Operational Research, 2022, v. 39, n. 2, p. 1, doi. 10.1142/S0217595921500214

By:

Gao, Xue;
Cai, Xingju;
Wang, Xueye

Publication type:

Article

Illuminating interaction networks along the Silk Roads: a multi-isotopic analysis of the Zaghunluq Cemetery, southern Xinjiang, China.

Published in:

Antiquity, 2025, v. 99, n. 405, p. 762, doi. 10.15184/aqy.2025.45

By:

Wang, Xueye;
Tang, Zihua;
Li, Yuqi;
Zhang, Guiying;
Lu, Lipeng;
Wang, Bo;
Wang, Wenjun;
Lü, Hongliang;
Roberts, Patrick

Publication type:

Article

A simple threeâdescriptor model for the prediction of the glassâtransition temperatures of vinyl polymers.

Published in:

Journal of Applied Polymer Science, 2010, v. 115, n. 6, p. 3721, doi. 10.1002/app.31423

By:

Xinliang Yu;
Wenhao Yu;
Xueye Wang

Publication type:

Article

Prediction of the polarity parameter p for the radical derived from monomer.

Published in:

e-Polymers, 2009, p. 1

By:

Xinliang Yu;
Wenhao Yu;
Bing Yi;
Xueye Wang

Publication type:

Article

Multi‐Isotope Analysis Reveals Human Millet‐Based Diets and Limited Mobility in the Central Plains of China ca. 5000 Years Ago.

Published in:

International Journal of Osteoarchaeology, 2025, v. 35, n. 3, p. 1, doi. 10.1002/oa.3407

By:

Wang, Xueye;
Cao, Doudou;
Gu, Wanfa;
Wei, Qingli;
Chen, Xianglong;
Zhang, Ruojing;
Ding, Lanpo;
Tang, Zihua;
Teng, Xiaoxiao;
Wang, Tianyi;
Zou, Jiaxing;
Qiu, Yujie;
Fu, Qiaomei;
Yuan, Haibing

Publication type:

Article

Study on the heterogeneity of China's agricultural economic growth in the context of temperature shocks.

Published in:

Scientific Reports, 2022, v. 12, n. 1, p. 1, doi. 10.1038/s41598-022-11877-3

By:

Yuan, Bin;
Cui, Yuhu;
Wang, Xueye;
Xu, Hanxiao

Publication type:

Article

Preparation of a Molecularly Imprinted Silica Nanoparticles Embedded Microfiltration Membrane for Selective Separation of Tetrabromobisphenol A from Water.

Published in:

Membranes, 2023, v. 13, n. 6, p. 571, doi. 10.3390/membranes13060571

By:

Zhang, Xingran;
Luo, Xiang;
Wei, Jiaqi;
Zhang, Yuanyuan;
Jiang, Minmin;
Wei, Qiaoyan;
Chen, Mei;
Wang, Xueye;
Zhang, Xuehong;
Zheng, Junjian

Publication type:

Article

Theoretical study on pentiptycene molecular brake: photoinduced isomerization and photoinduced electron transfer.

Published in:

Journal of Molecular Modeling, 2021, v. 27, n. 10, p. 1, doi. 10.1007/s00894-021-04900-3

By:

Wang, Hailong;
Guan, Qiuping;
Wang, Xueye

Publication type:

Article

Theoretical research of covalent and controllable molecular brake based on 9-triptycene.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 5, p. 1, doi. 10.1007/s00214-021-02762-9

By:

Wang, Hailong;
Guan, Qiuping;
Wang, Xueye

Publication type:

Article

Theoretical design and rotational conformation analysis of molecular bevel gear with triptycene as rotator.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 3, p. 1, doi. 10.1007/s00214-020-2576-1

By:

Jia, Zishang;
Zhang, Xinyu;
Li, Hui;
Wang, Xueye

Publication type:

Article