Works matching IS 00094536 AND DT 2023 AND VI 70 AND IP 3

Results: 61

Cover: Journal of the Chinese Chemical Society 3/2023.

Published in:: Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 173, doi. 10.1002/jccs.202380301
Publication type:: Article

Cover: Journal of the Chinese Chemical Society 3/2023.

Published in:: Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 174, doi. 10.1002/jccs.202380113
Publication type:: Article

Issue Information: Journal of the Chinese Chemical Society 3/2023.

Published in:: Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 1, doi. 10.1002/jccs.202380035
Publication type:: Article

Preview: Journal of the Chinese Chemical Society 3/2023.

Published in:: Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 782, doi. 10.1002/jccs.202308133
Publication type:: Article

Guest Editorial.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 189, doi. 10.1002/jccs.202300060

By:

Cheng, Yuan‐Chung;
Hayashi, Michitoshi;
Kuo, Jer‐Lai;
Tsai, Min‐Yeh;
Zhu, Chaoyuan

Publication type:

Article

Detection of organochlorine pesticides in estuarine sediments of protected wetlands in Taiwan using high‐resolution gas chromatography/high‐resolution mass spectrometry and gas chromatography‐electron capture detector.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 770, doi. 10.1002/jccs.202200551

By:

Lai, Yin‐Hung;
Chi, Ki‐Hsien;
Zhou, Wei‐Xiang;
Hsu, Yuan‐Cheng;
Weng, Ying‐Ming

Publication type:

Article

The Expression of Concern.

Published in:: Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 780, doi. 10.1002/jccs.202200534
Publication type:: Article

The Expression of Concern.

Published in:: Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 779, doi. 10.1002/jccs.202200533
Publication type:: Article

A density functional theory study of van der Waals interaction in carbon nanotubes.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 759, doi. 10.1002/jccs.202200530

By:

Wang, Houng‐Wei;
Hayashi, Michitoshi

Publication type:

Article

A generic rotamer model to explain the temperature dependence of BSA protein fluorescence.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 386, doi. 10.1002/jccs.202200528

By:

Chou, Yun‐Chu;
Lin, Tong‐You;
Tsai, Min‐Yeh

Publication type:

Article

Computational analysis of geometric structures and edge‐termination effects of boron‐nitride and edge‐termination boron‐nitride nanoribbons.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 317, doi. 10.1002/jccs.202200527

By:

Wang, Houng‐Wei;
Lu, Shih‐I;
Wang, Bo‐Cheng

Publication type:

Article

Noise response in monomolecular closed systems.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 747, doi. 10.1002/jccs.202200526

By:

Fajiculay, Erickson;
Hsu, Chao‐Ping

Publication type:

Article

Polarization effects on intermolecular vibrational energy transfer analyzed by 2DIR spectroscopy.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 723, doi. 10.1002/jccs.202200518

By:

Villaeys, Albert A.;
Liang, Kuo Kan

Publication type:

Article

On the crucial features of a single‐file transport model for ion channels.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 712, doi. 10.1002/jccs.202200517

By:

Liang, Kuo Kan

Publication type:

Article

Activity and steady‐state kinetics of one‐dimensional kinetic Ising model.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 699, doi. 10.1002/jccs.202200516

By:

Liang, Kuo Kan

Publication type:

Article

Force‐dependent motion reversal in quantum rocking ratchets.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 421, doi. 10.1002/jccs.202200510

By:

Rozenbaum, Viktor M.;
Shapochkina, Irina V.;
Teranishi, Yoshiaki;
Witek, Henryk A.;
Trakhtenberg, Leonid I.

Publication type:

Article

Stimulated emission cross sections and temperature‐dependent spectral shifts of neutral nitrogen‐vacancy centers in diamonds.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 451, doi. 10.1002/jccs.202200501

By:

Yang, Teng‐I;
Azuma, Terumitsu;
Huang, Yu‐Wen;
Hui, Yuen Yung;
Chiang, Cheng‐Tien;
Chang, Huan‐Cheng

Publication type:

Article

Electronic properties of 3d transition metal dihalide monolayers predicted by DFT methods: Is there a pattern or are the results random?

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 359, doi. 10.1002/jccs.202200487

By:

Chiu, Cheng‐chau;
Wang, Chung‐Yu;
Huang, Bo‐Jie;
Kuo, Jer‐Lai

Publication type:

Article

Implementation of molecular symmetry in valence bond calculation.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 341, doi. 10.1002/jccs.202200476

By:

Ji, Chenru;
Ying, Fuming;
Su, Peifeng;
Zhou, Chen;
Wu, Wei

Publication type:

Article

Building an oxidation reactor in Taiwan: From volatile organic compounds to secondary organic aerosols.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 511, doi. 10.1002/jccs.202200470

By:

Lin, Yen‐Hsiu;
Wu, Yen‐Ju;
Lin, Jim Jr‐Min

Publication type:

Article

Excited‐state nonadiabatic dynamics simulations on the heptazine and adenine in a water environment: A mini review.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 195, doi. 10.1002/jccs.202200445

By:

Ullah, Naeem;
Chen, Shunwei;
Zhang, Ruiqin

Publication type:

Article

Theoretical study on the aggregation‐induced emission mechanism of anthryl‐tetraphenylethene.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 737, doi. 10.1002/jccs.202200462

By:

Pan, Xin;
Lu, Yajie;
Zhou, Weixing;
Zhang, Wenyu;
Yang, Ling;
Zhu, Chaoyuan;
Lin, Sheng‐Hsien

Publication type:

Article

Reaction of propionitrile with methylidyne: A theoretical study.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 439, doi. 10.1002/jccs.202200461

By:

Krikunova, Lubov I.;
Nikolayev, Anatoliy A.;
Porfiriev, Denis P.;
Mebel, Alexander M.

Publication type:

Article

Optimal control for maximally creating and maintaining a superposition state of a two‐level system under the influence of Markovian decoherence.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 328, doi. 10.1002/jccs.202200451

By:

Ohtsuki, Yukiyoshi;
Mikami, Suicho;
Ajiki, Toru;
Tannor, David J.

Publication type:

Article

Effect of titanium, antimony, and ruthenium doping on tin dioxide adsorption properties. Quantum‐chemical modeling.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 432, doi. 10.1002/jccs.202200448

By:

Zyubina, Tatyana S.;
Zyubin, Alexander S.;
Frolova, Lyubov A.;
Pisarev, Rostislav V.;
Pisareva, Anna V.;
Dobrovolsky, Yury A.

Publication type:

Article

Electronic and photophysical properties of selected organic boron‐containing molecules: Insight into effects of heteroatom substitution and aggregation.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 477, doi. 10.1002/jccs.202200467

By:

Zhang, Lin;
Cao, Zexing

Publication type:

Article

Understanding Ramachandran plot for dipeptide: A density functional theory and information‐theoretic approach study.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 243, doi. 10.1002/jccs.202200444

By:

An, Xiaoyan;
Zhang, Wenbiao;
Rong, Chunying;
Liu, Shubin

Publication type:

Article

Density functional theory study on sensing properties of g‐C3N4 sheet to atmospheric gasses: Role of zigzag and armchair edges.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 349, doi. 10.1002/jccs.202200442

By:

Nachimuthu, Santhanamoorthi;
Kuo, Yi‐Hui;
Khanh, Dang Hoai;
Zhu, Zhan‐Jun;
Jiang, Jyh‐Chiang

Publication type:

Article

DFT mechanistic study on nickel/IPr‐catalyzed aldehyde–alkyne reductive couplings with trialkylsilane/dialkylsilane.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 471, doi. 10.1002/jccs.202200439

By:

Ma, Xuexiang;
Feng, Aili;
Zhang, Dongju

Publication type:

Article

Quantum model of dynamic Stark‐induced degenerate vibronic state by two nonresonant shift‐up lasers for π‐electron angular momentum generation.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 405, doi. 10.1002/jccs.202200431

By:

Mineo, Hirobumi;
Ho, Quang Huy;
Phan, Ngoc‐Loan;
Fujimura, Yuichi

Publication type:

Article

Quadrupole versus dipole photomotors: Symmetry constraints and operating properties.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 460, doi. 10.1002/jccs.202200427

By:

Dekhtyar, Marina L.;
Rozenbaum, Viktor М.

Publication type:

Article

Sequence‐dependent clustering properties of nucleotides fragments in an ionic solution.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 297, doi. 10.1002/jccs.202200425

By:

Mondal, Manas;
Gao, Yi Qin

Publication type:

Article

Theoretical study of the absorption and emission spectrum and non‐adiabatic excited state dynamics of gas‐phase xanthone.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 372, doi. 10.1002/jccs.202200422

By:

Chin, Chih‐Hao;
Zhu, Tong;
Zhang, John Zeng Hui

Publication type:

Article

Effect of non‐covalent interactions in 2,5‐di‐Me‐pyrazine‐di‐N‐oxide ‐ methanol – Carbon nanotube electrocatalytic system.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 394, doi. 10.1002/jccs.202200412

By:

Kulakovskaya, Svetlana I.;
Zyubina, Tatyana S.;
Zyubin, Alexander S.;
Kulikov, Alexander V.;
Ryabenko, Alexander G.;
Zolotukhina, Ekaterina V.;
Dobrovolskiy, Yuriy A.

Publication type:

Article

Determination of the barrier height of a crystalline dipolar molecular rotor directly from temperature‐dependent dielectric spectra.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 489, doi. 10.1002/jccs.202200408

By:

Fujimura, Yuichi;
Teranishi, Yoshiaki

Publication type:

Article

Collaborative control of branching ratio in the O + HO2 → OH + O2 reaction via vibrational and rotational excitation.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 521, doi. 10.1002/jccs.202200404

By:

Chen, Qixin;
Hu, Xixi;
Xie, Daiqian

Publication type:

Article

Extremely asymmetric sawtooth potential in the ratchet theory.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 209, doi. 10.1002/jccs.202200400

By:

Rozenbaum, Viktor M.;
Shapochkina, Irina V.;
Teranishi, Yoshiaki;
Witek, Henryk A.;
Trakhtenberg, Leonid I.

Publication type:

Article

Vibrational spectrum of a 1D oscillator: The quantum, the Wigner, and the classical ways.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 495, doi. 10.1002/jccs.202200398

By:

Tan, Jake A.;
Takahashi, Kaito

Publication type:

Article

Adiabatic theory for high Rydberg molecules.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 232, doi. 10.1002/jccs.202200394

By:

Chao, Sheng D.

Publication type:

Article

Dissociation reactions of hydrogen molecules at active sites on gold clusters: A DFT study.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 570, doi. 10.1002/jccs.202200392

By:

Chen, Jia‐Li;
Zhang, Xia‐Guang;
Wu, De‐Yin

Publication type:

Article

Characterizing the excited states of large photoactive systems by exciton models.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 253, doi. 10.1002/jccs.202200381

By:

Wang, Ke;
Ma, Jing;
Ma, Haibo

Publication type:

Article

Stochastic kinetic study of protein aggregation and molecular crowding effects of Aβ40 and Aβ42.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 579, doi. 10.1002/jccs.202200365

By:

Bridstrup, John;
Yuan, Jian‐Min;
Schreck, John S.

Publication type:

Article

High thermoelectric figure of merit in rhombic porous carbon nitride nanoribbons.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 547, doi. 10.1002/jccs.202200359

By:

Wang, Weiyi;
Li, Qunxiang;
Yang, Jinlong

Publication type:

Article

Kohn–Sham potentials by an inverse Kohn–Sham equation and accuracy assessment by virial theorem.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 554, doi. 10.1002/jccs.202200355

By:

Kato, Tsuyoshi;
Saito, Shinji

Publication type:

Article

Combined DFT and wave function theory approach to excited states of lanthanide luminescent materials: A case study of LaF3:Ce3+.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 604, doi. 10.1002/jccs.202200348

By:

Sun, Huai‐Yang;
Jiang, Hong

Publication type:

Article

Computational studies on the excited state decay rates in aggregates of two‐coordinate Cu (I) complexes: Thermally Activated Delayed Fluorescence and Aggregation Induced Emis.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 287, doi. 10.1002/jccs.202200347

By:

Lin, Shiyun;
Ou, Qi;
Peng, Qian;
Shuai, Zhigang

Publication type:

Article

Franck‐Condon factors within damped displacement harmonic oscillators: Solvent‐enhanced absorption and fluorescence spectra.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 219, doi. 10.1002/jccs.202200341

By:

Zhu, Chaoyuan

Publication type:

Article

The capture of carbonyl sulfide by N‐methyldiethanolamine: A systematic density functional theory investigation.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 528, doi. 10.1002/jccs.202200337

By:

Xue, Jingwen;
Liao, Rong‐Zhen;
Li, Jinjin;
Cao, Yu‐Chen;
Zhang, Ya‐Qiong

Publication type:

Article

Trajectory surface hopping molecular dynamics on Chemiluminescence of cyclic peroxides.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 269, doi. 10.1002/jccs.202200329

By:

Yue, Ling

Publication type:

Article

Calculation of the anharmonic effect on the main reactions referring to ethylbenzene combustion mechanism.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 589, doi. 10.1002/jccs.202200317

By:

Song, Zening;
Wang, Shiye;
Yu, Hongjing;
Hu, Wenye;
Yao, Li

Publication type:

Article