Yongcheng Wang

发表

The DFT study on CC activation of butanone by Ni+ in gas phase: Two parallel decomposition reaction mechanisms

Mao-Ji La, Yongcheng Wang, Cui-Lan Wang, 2012 .

THEORETICAL STUDY ON THE H2 ACTIVATION BY PtO+ AND ${\rm PtO}_{2}^{+}$ IN THE GAS PHASE

Y. Tong, Dongqing Wu, Yongcheng Wang, 2010 .

C–C activation of C2H4 by VO2+ in the gas phase: A case of two-state reactivity process

Dongping Chen, Yongcheng Wang, Qingyun Wang, 2008 .

Theoretical study of activation CC double bond of C2H4 by CrO2+ in gas phase

Yongcheng Wang, Xiao-xia Chen, 2006 .

Theoretical study of activation CO bond of CH3OCH3 by Ti+ in the gas phase

Ze-Yu Liu, Yongcheng Wang, Zhiyuan Geng, 2006 .

DFT Study of the Spin-Forbidden Reaction of N2O with CO Catalysed by Y+ Ions

Y. Tong, Yongcheng Wang, Qingyun Wang, 2017 .

Theoretical study of spin–orbit coupling and zero-field splitting in the spin-forbidden two-state reaction between cobaltacyclopentadiene and isocyanate

Xiaofang Wang, Yongcheng Wang, Lingling Lü, 2014 .

Spin-orbit coupling and zero-field splitting of the high-spin ferric enzyme-substrate complex: Protocatechuate 3,4-dioxygenase complexed with 3,4-dihydroxyphenylacetate

Xiaofang Wang, Yongcheng Wang, Lingling Lü, 2013 .

Theoretical Study on the Two-State Reaction Mechanism for the Formation of a Pyridin-2-one Cobalt Complex from Cobaltacyclopentadiene and Isocyanate

Xiaofang Wang, Yongcheng Wang, Yuancheng Zhu, 2013 .

On the gas-phase OsOn+ (n = 0–3) catalyzed reduction of N2O by H2: A density functional study

Yongcheng Wang, Jianhui Zhang, Ning Shi, 2013 .

Theoretical investigations of spin–orbit coupling and kinetics in reaction NO2 with CO catalyzed by gas phase bare Ir+

Yongcheng Wang, Jianhui Zhang, Yanli Leng, 2012 .

Theoretical studies on the reaction of NO2 with CO catalyzed by bare Os+ cations and its kinetic information

Yongcheng Wang, Zhiyuan Geng, Jianhui Zhang, 2012 .

A DFT study of two-state reactivity on the reaction of N2O with Sc+ in the gas phase

Yongcheng Wang, Jianhui Zhang, Guo-Yong Feng, 2011 .

DFT Study for the Reduction of N2O(1Σ+) with CO(1Σ+) Catalyzed by Cr+

F. Liu, Yongcheng Wang, Jianhui Zhang, 2010 .

DFT Study of N2O Activation with La+, Hf+, Ta+ and W+ in the Gas Phase

Yongcheng Wang, Jianhui Zhang, Yanli Leng, 2010 .

DFT study of the reaction of NO2(2A1) with CO(1Σ+) mediated by V+

Y. Tong, Yongcheng Wang, Qingyun Wang, 2010 .

DFT studies of thermal activation of methane by [Ru(H)(OH)]+

Z. Wang, Yongcheng Wang, Zhiyuan Geng, 2009 .

Theoretical investigation of the reactivity in the C–F bond activation of CH3F by La+ in the gas phase

Ze-Yu Liu, Yongcheng Wang, Zhiyuan Geng, 2006 .

Theoretical investigation of thermal activation of methane by [Pd(H)(OH)]+

Jianhua Wu, Yongcheng Wang, Zhiyuan Geng, 2011 .

Theoretical investigation for the reaction of NO2(2A1) with CO(1∑+) catalyzed by Ti+(X4F)

Yongcheng Wang, Zhiyuan Geng, Jianhui Zhang, 2008 .

Theoretical study of the reactivity of X(3P) (X=Ge, Sn, Pb) with N2O(X1Σ)

Yongcheng Wang, Zhiyuan Geng, Lingling Lv, 2005 .

DFT studies for activation of C–H bond in methane by gas-phase Rhn+ (n = 1 − 3)

Jianglong Liu, Yongcheng Wang, Zhiyuan Geng, 2013 .

The DFT study on C–H activation of ethene by YNH+ and YC2H3N+ in gas phase

Yongcheng Wang, Qingyun Wang, Yu-Bing Si, 2009 .

The theoretical investigation on gas-phase chemistry of YNH+ with propene

Yongcheng Wang, Qingyun Wang, Yu-Bing Si, 2008 .

Theoretical study on the H2S activation by PtCH2+ in the gas phase

Y. Tong, Yongcheng Wang, Qingyun Wang, 2016, Structural Chemistry.

Theoretical study of the mechanism for C-H bond activation in spin-forbidden reaction between Ti+ and C2H4

Xiaofang Wang, Yongcheng Wang, Xin-Wen Liu, 2009 .

DFT studies for dehydrogenation of methane by gas-phase Ru+

Shaoli Liu, Yongcheng Wang, Zhiyuan Geng, 2011 .

A theoretician’s view of the Ce+ mediated activation of the NH bond in ammonia

Qian Wang, Q. Wang, Mao-Ji La, 2011 .

Activation of Methane by the Pyridine Radical Cation and its Substituted Forms in the Gas Phase

Guohua Wu, Yongcheng Wang, A. Stace, 2015, Journal of The American Society for Mass Spectrometry.

Theoretical study of the reaction of Cu+ with OCS

Hanfu Wang, Yongcheng Wang, Liguo Gao, 2007 .

A theoretical view on CrO2+-mediated C–H bond activation in ethane

Y. Tong, Xin-ya Xu, Yongcheng Wang, 2015 .

Theoretical investigation for the mediated activation of the C–CN in CH3CN by Zr atom in the gas phase

Yongcheng Wang, Dafang Ji, Yan-zi Jin, 2013 .

Competitive activation of C–H and C–F bonds in gas phase reaction of Ir+ with CH3F: A DFT study

Huanting Wang, Yongcheng Wang, Yan-zi Jin, 2012 .

A two-state reactivity rationale for the reaction of ta atom with acetonitrile in the gas phase

Yongcheng Wang, Cui-Lan Wang, Dafang Ji, 2012 .

Theoretical study of the reactions of lanthanide ions (Ce+, Pr+) with CO2 in the gas phase

Q. Wang, Yongcheng Wang, Qingyun Wang, 2011 .

Theoretical investigation for the cycle reaction of N2O (x1∑+) with CO (1∑+) catalyzed by IrO(n)+ (n = 1, 2) and utilizing the energy span model to study its kinetic information.

Mao-Ji La, Yongcheng Wang, Cui-Lan Wang, 2011, The journal of physical chemistry. A.

DFT study of the spin-forbidden reaction of N2O and CO catalyzed by Pt

Yongcheng Wang, Qingyun Wang, Yu-Bing Si, 2008 .

Mechanistic and kinetic study on the SN2 and E2 reactions of Cl− with CH3OBr

Jianglong Liu, Yongcheng Wang, Zhiyuan Geng, 2013 .

1 NiFe alloy reduced on graphene oxide for 2 electrochemical non-enzymatic glucose sensing 3

Yongcheng Wang, Zhe-Peng Deng, Yu Sun, 2018 .

Intersystem crossing mechanism of thermally activated delayed fluorescence copper(I) thiolate complex: The roles of exchange coupling and magnetic spin interactions

Yongcheng Wang, K. Yuan, Lingling Lv, 2018 .

Basic photophysical analysis of a thermally activated delayed fluorescence copper(i) complex in the solid state: theoretical estimations from a polarizable continuum model (PCM)-tuned range-separated density functional approach.

Yongcheng Wang, K. Yuan, Lingling Lv, 2018, Physical chemistry chemical physics : PCCP.

Thermally activated delayed fluorescence processes for Cu(i) complexes in solid-state: a computational study using quantitative prediction

Kui Liu, Yongcheng Wang, Yuancheng Zhu, 2018, RSC advances.

Theoretical studies on the mechanism of oxazole with CO2 catalyzed by gold(I) complexes

Yongcheng Wang, Zhiyuan Geng, Dongmei Wang, 2012 .

Mechanism study of TADF and phosphorescence in dinuclear copper (I) molecular crystal using QM/MM combined with an optimally tuned range-separated hybrid functional

Yongcheng Wang, K. Yuan, Guofang Zuo, 2020 .

On the mechanism of AuCl3-catalyzed synthesis of highly substituted furans from 2-(1-alkynyl)-2-alken-1-ones with nucleophiles: A DFT study

Lizi Yang, Yongcheng Wang, R. Fang, 2011 .

A DFT study on the mechanism of gold(III)-catalyzed synthesis of highly substituted furans via [3, 3]-sigmatropic rearrangements and/or [1, 2]-acyloxy migration based on propargyl ketones.

Lizi Yang, Yongcheng Wang, R. Fang, 2011, Organic & biomolecular chemistry.

DFT Study of the Reaction Mechanism of N 2 O Decomposition on Au 3 +/0/− Clusters

Yongcheng Wang, Lan Luo, Lin-Yu Wu, 2020 .

Reaction mechanism and chemoselectivity of gold(I)-catalyzed cycloaddition of 1-(1-alkynyl) cyclopropyl ketones with nucleophiles to yield substituted furans

Shaoli Liu, Yongcheng Wang, Zhiyuan Geng, 2012, Science China Chemistry.

Theoretical investigation on the reaction of N2O and CO catalyzed by PtO

Yongcheng Wang, Lingling Lv, Liguo Gao, 2011 .

A theoretical study nickel-catalyzed cyclopropanation reactions. Nickel(0) versus nickel(II)

F. Liu, Z. Wang, Yongcheng Wang, 2009 .

Theoretical study of the insertion reaction of CH3O–H by singlet alkylidenecarbenes

Cunyuan Zhao, Lizi Yang, Yongcheng Wang, 2005 .

Theoretical investigation on the reaction of N2O and CO catalyzed by Fe+(C6H6)

Yongcheng Wang, Liguo Gao, Xiao-li Song, 2009 .

Theoretical studies of the reactions of M+ (M = Ta, W, Re) with CS2

Y. Tong, Yongcheng Wang, Qingyun Wang, 2014, Structural Chemistry.

Spin‐orbit Coupling and Intersystem Crossing in 4H‐Pyran‐4‐thione: CASSCF//TD‐B3LYP Study

Yongcheng Wang, Lingling Lü, Xin-Wen Liu, 2007 .

A theoretical study of the intersystem crossing channels of gaseous 4H-pyran-4-thione

Xiaofang Wang, Yongcheng Wang, Lingling Lü, 2007 .

A NiFe Alloy Reduced on Graphene Oxide for Electrochemical Nonenzymatic Glucose Sensing

Yu Sun, Yong-Cheng Wang, Zhe-Peng Deng, 2018, Sensors.

Theoretical Studies on the Photophysical Properties of the Ag(I) Complex for Thermally Activated Delayed Fluorescence Based on TD-DFT and Path Integral Dynamic Approaches

Yongcheng Wang, Lingling Lv, Huixue Li, 2022, ACS omega.

Theoretical investigation on activation of ethene by the HNbN− anion in the gas phase

Shuang-Bao Li, Yongcheng Wang, Xiaoli Wang, 2016 .

Reaction mechanism of hydrogen cyanide catalyzed by gas‐phase titanium

Shuang-Bao Li, Yongcheng Wang, Xiaoli Wang, 2017 .

Theoretical Study on the Photochemical Ring Opening Process of 2H-pyran

Xiaofang Wang, Yongcheng Wang, Lingling Lü, 2008 .

The small metal cluster IrAu+ mediated C–N coupling: A density functional theory study

Shaoli Liu, Yongcheng Wang, Xiufang Hou, 2012 .

Mechanism of Ethylene Migratory Insertion and Dimerization Catalyzed by δ‐Alkyl Platinum Complexes–A DFT Study

Y. Sheng, Yuzhi Wang, Yongcheng Wang, 2011 .

Theoretical Studies on Reaction Pathways of Samarium(II) Carbenoid-Promoteded Cyclopropanation Reaction of Ethylene

Cunyuan Zhao, Yongcheng Wang, Xiao-xia Chen, 2006 .

Mechanistic exploration of the catalytic cycles for the CO oxidation by O2 over FeO1–3 application of the energetic span model

Huanting Wang, Yongcheng Wang, 2014, Journal of Molecular Modeling.

Theoretical investigation into the Co+ catalytic activity in the cycle reaction of N2O with C2H6 in the gas phase

Huanting Wang, Yongcheng Wang, Yan-zi Jin, 2014 .

Theoretical study of activation of the C–H bond in C2H4 by the group 5 metal atoms (V, Nb, Ta) in the gas-phase

Yongcheng Wang, Cui-Lan Wang, Dafang Ji, 2011 .

Theoretical study of spin-orbit coupling and intersystem crossing in the two-state reaction between Nb(NH2)3 and N2O

Xiaofang Wang, Yongcheng Wang, Yuancheng Zhu, 2012, Science China Chemistry.

Theoretical investigations of spin‐orbit coupling and intersystem crossing in reaction carbon dioxide activated by [Re(CO) 2 ] +

Yongcheng Wang, Jingjing Wu, Zhiming Zhu, 2020 .

Theoretical investigation of the reactivity in the C–F bond activation of CH3F by Lu+ in the gas phase

Ze-Yu Liu, Yongcheng Wang, Xiao-yan Yang, 2006 .

Insertion of singlet alkylidenecarbenes into O–H bond of water: A theoretical prediction

B. Jia, Yongcheng Wang, Z. Geng, 2007 .

The gas‐phase H‐abstraction reactions of CCl3H with CX1X2•− (X1X2 = HF, HCl, HBr, HI, FF, ClCl, BrBr, and II), a DFT study

Yongcheng Wang, J. Liang, Z. Geng, 2011 .

Theoretical study on the mechanism of the CrO2+ + C2H4 reaction in gas phase

Tao Wang, Xingwen Zheng, Yongcheng Wang, 2007 .

Theoretical study of the reactivity of 4d transition metal ions with N2O

Yong-Cheng Wang, Xiao-Yan Yang, Zhi-Yuan Geng, 2006 .

Exploring the structure, bonding and stability of noble gas compounds promoted by superhalogens. A case study on HNgMX3 (Ng = Ar-Rn, M = Be-Ca, X = F-Br) via combined high-level ab initio and DFT calculations.

Jin-Feng Li, Bing Yin, Yongcheng Wang, 2019, Physical chemistry chemical physics : PCCP.

Theoretical study on the reaction mechanism of NH 2 - + SCX (X = O, S)

Jianhua Wu, Yongcheng Wang, Hong-qiang Liu, 2011 .

Theoretical Study on Reaction of Furan Anion with N2O in Gas Phase

Yongcheng Wang, J. Liang, Z. Geng, 2009 .

Theoretical study on reaction of C6H5- with N2O in gas phase

Yongcheng Wang, Yanxia Han, Pen-Ji Yan, 2008 .

DFT study of the spin-forbidden reaction between Ti+ and N2O

Yongcheng Wang, Lingling Lü, Xin-Wen Liu, 2006 .

Density functional study of SN2 substitution reactions for CH3Cl + CX1X2•− (X1X2 = HH, HF, HCl, HBr, HI, FF, ClCl, BrBr, and II)

Yong-Cheng Wang, Zhi-Yuan Geng, Jun-Xi Liang, 2012, J. Comput. Chem..

Reactivity of hydrogen abstraction in CH2Cl2 by CHX− (X = F, Cl, Br, I) from a theoretical viewpoint

Yongcheng Wang, J. Liang, Z. Geng, 2010 .

Theoretical study of activation Fe–O bond of FeO+ by CO in the gas phase

Dongping Chen, Yongcheng Wang, Jianhui Zhang, 2008 .

On the catalytic mechanism of Pt4+/− in the oxygen transport activation of N2O by CO

Yongcheng Wang, Yan-zi Jin, Lingling Lv, 2011 .

Theoretical investigation for the reaction of N2O with CO catalyzed by Pt-Graphene

Y. Tong, Yongcheng Wang, Qingyun Wang, 2017, Structural Chemistry.

Activation of acetonitrile by gas-phase uranium: bond structure analysis and spin–flip reaction mechanism

Shuang-Bao Li, Yongcheng Wang, Xiaoli Wang, 2017, Theoretical Chemistry Accounts.

Theoretical Study on the Reaction Mechanism of Ti with CH3CN in the Gas Phase.

Shuang-Bao Li, Yongcheng Wang, Xiaoli Wang, 2016, The journal of physical chemistry. A.

Theoretical investigation on activation of CH and CC bonds of 2-butyne by gas-phase Nb atom

W. Wang, Shuang-Bao Li, Yongcheng Wang, 2016 .

Reaction pathways of direct O and S atoms abstraction from oxirane and thiirane by silylidene: A theoretical study

Yongcheng Wang, R. Fang, Z. Geng, 2007 .

Density functional theory study of the mechanism of the acid-catalyzed decarboxylation of pyrrole-2-carboxylic acid and mesitoic acid

Yongcheng Wang, Z. Geng, Xinghui Zhang, 2011 .

On the catalytic role of Re+ in the oxygen transport activation of N2O by CO

Y. Tong, Yongcheng Wang, Qingyun Wang, 2014, Structural Chemistry.

On the catalytic role of Co+ in the oxygen transport activation of N2O by CO

Y. Tong, Yongcheng Wang, Qingyun Wang, 2012 .

Theoretical study of the activation of CH 4 n F n ( n = 13) molecules by platinum in the gas-phas

Yongcheng Wang, Lingling Lv, Hui-Wen Liu, 2010 .

A theoretical study of the reaction of La+ with N2O in the gas phase

Yongcheng Wang, Lingling Lv, Hui-Wen Liu, 2010 .

Why is Pt4+ the Least Efficient Cationic Cluster in Activating the C−H Bond in Methane? Two-State Reaction Computational Investigation

Yongcheng Wang, Lingling Lv, Hui-Wen Liu, 2010 .

Theoretical investigation on the gas phase decomposition of ethyl acetate by Ni+

Yongcheng Wang, Pei-Pei Zhao, Yang Sheng, 2018, Structural Chemistry.

Methane activation by MH+ (M = Os, Ir, and Pt) and comparisons to the congeners of MH+ (M = Fe, Co, Ni and Ru, Rh, Pd).

Shaoli Liu, Yongcheng Wang, Yunfeng Yan, 2012, The journal of physical chemistry. A.

Theoretical views on the cycle reaction of N2O (1Σ+) + NH3 (1A1) + O2 1Σg+ catalyzed by Fe+ and utilizing the energy span model to study its kinetic information

Yongcheng Wang, Jingyan Nian, Jia Wang, 2011 .

Investigation of Conversion and Decay Processes in Thermally Activated Delayed Fluorescence Copper(I) Molecular Crystal: Theoretical Estimations from an ONIOM Approach Combined with the Tuned Range-Separated Density Functional Theory.

Yongcheng Wang, Yuancheng Zhu, K. Yuan, 2019, The journal of physical chemistry. A.

Theoretical studying of basic photophysical processes in a thermally activated delayed fluorescence copper(I) complex: Determination of reverse intersystem crossing and radiative rate constants

Yongcheng Wang, K. Yuan, Lingling Lv, 2017 .

Activation of C2H6 by Gas-Phase Ta+: Potential Energy Surfaces, Spin−Orbit Coupling, Spin-Inversion Probabilities, and Reaction Mechanisms

Yongcheng Wang, Yu-Bing Si, Lingling Lv, 2009 .

Negatively charged boron nitride nanosheets as a potential metal-free electrocatalyst for the oxygen reduction reaction: a computational study

Jingxiang Zhao, X. Wen, Yongcheng Wang, 2018 .

A new mechanistic study of a second generation TADF material based on the path integral approach incorporating Herzberg–Teller and Duschinsky rotation effects

Yongcheng Wang, K. Yuan, Lingling Lv, 2020 .

A Density Functional Theory Study of Aluminum Carbenoid (CH3)2AlCH2X (X = Cl, Br, I) Promoted Cyclopropanation Reactions Compared to IMCH2I (M = Li, Sm, Zn) Carbenoids

Z. Li, Cunyuan Zhao, Zhuofeng Ke, 2006 .

Doping MoS2 monolayer with nonmetal atoms to tune its electronic and magnetic properties, and chemical activity: a computational study

Jingxiang Zhao, Hongxia Wang, X. Wen, 2019, New Journal of Chemistry.

Theoretical study of Ni+ assisted C—C and C—H bond activations of propionaldehyde in the gas phase

Yongcheng Wang, Pei-Pei Zhao, Yang Sheng, 2017, Computational & theoretical chemistry.

Theoretical study of deactivation and isomerization pathways of 1,2-dithiete in excited electronic states

Xiaofang Wang, Yongcheng Wang, Xin-Wen Liu, 2009 .

A theoretical study on La-activated bicyclo-oligomerization of acetylene to form naphthalene in gas phase using density functional theory (DFT)

Shuang-Bao Li, Yongcheng Wang, Xiaoli Wang, 2018, Structural Chemistry.

Reaction mechanisms for C–N bond coupling from IrAg+, CH4 and NH3: A density functional theory study

Yongcheng Wang, Xiufang Hou, Z. Geng, 2012 .

Theoretical investigation on acetylene cyclotrimerization catalysed by TiO2and Ti

Yongcheng Wang, Zhe-Peng Deng, Yu Sun, 2019, Journal of Physical Organic Chemistry.

A theoretical study of the proton transfer process in the spin-forbidden reaction 1HNO(1A′) + OH−→3NO−(3Σ−) + H2O

Xiaofang Wang, Yongcheng Wang, Lingling Lü, 2008 .