Perceptions on the treatment of apparent isotope effects during the analyses of reaction rate and mechanism (English)
- New search for: Gao, Xin
- New search for: Yu, Xi-Yang
- New search for: Chang, Chun-Ran
- New search for: Gao, Xin
- New search for: Yu, Xi-Yang
- New search for: Chang, Chun-Ran
In:
Physical Chemistry Chemical Physics
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24
, 25
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15182-15194
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2022
- Article (Journal) / Electronic Resource
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Title:Perceptions on the treatment of apparent isotope effects during the analyses of reaction rate and mechanism
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Contributors:
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Published in:Physical Chemistry Chemical Physics ; 24, 25 ; 15182-15194
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Publisher:
- New search for: The Royal Society of Chemistry
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Publication date:2022-06-29
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Size:13 pages
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ISSN:
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Coden:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Source:
Table of contents – Volume 24, Issue 25
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 15143
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Front cover| 2022
- 15144
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Inside front cover| 2022
- 15145
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Contents list| 2022
- 15158
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Computational vibrational spectroscopy of molecule–surface interactions: what is still difficult and what can be done about itManzhos, Sergei / Ihara, Manabu et al. | 2022
- 15173
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Dipolar spin–spin coupling as an auxiliary tool for the structure determination of small isolated moleculesBizzocchi, Luca / Alessandrini, Silvia / Melosso, Mattia / Puzzarini, Cristina et al. | 2022
- 15182
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Perceptions on the treatment of apparent isotope effects during the analyses of reaction rate and mechanismGao, Xin / Yu, Xi-Yang / Chang, Chun-Ran et al. | 2022
- 15195
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Insulation of a coumarin derivative with [1]rotaxane to control solvation-induced effects in excited-state dynamics for enhanced luminescenceRussell, Go M. / Masai, Hiroshi / Terao, Jun et al. | 2022
- 15201
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Quantum spin Hall effect in tilted penta silicene and its isoelectronic substitutionsZhan, Lijin / Fang, Yimei / Zhang, Ruotong / Lu, Xiancong / Lü, Tie-yu / Cao, Xinrui / Zhu, Zizhong / Wu, Shunqing et al. | 2022
- 15208
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Chromone–methanol clusters in the electronic ground and lowest triplet state: a delicate interplay of non-covalent interactionsBoden, Pol / Strebert, Patrick H. / Meta, Marcel / Dietrich, Fabian / Riehn, Christoph / Gerhards, Marku et al. | 2022
- 15217
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Auger electron spectroscopy of fulminic acid, HCNO: an experimental and theoretical studyGerlach, Mariu / Preitschopf, Tobia / Karaev, Emil / Quitián-Lara, Heidy M. / Mayer, Denni / Bozek, John / Fischer, Ingo / Fink, Reinhold F. et al. | 2022
- 15230
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Electron correlation and vibrational effects in predictions of paramagnetic NMR shiftsJaworski, Aleksander / Hedin, Nikla et al. | 2022
- 15245
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Polarizable molecular dynamics simulations on the conductivity of pure 1-methylimidazolium acetate systemsJoerg, Florian / Schröder, Christian et al. | 2022
- 15255
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Boosting sulfides photooxidation by fusing naphthalimide and flavin togetherGuo, Huimin / Lei, Zhiwen / Ma, Xiaolin / Liu, Siyu / Qiu, Yang / Zhao, Jianzhang et al. | 2022
- 15265
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Dynamics in the O(2 × 1) adlayer on Ru(0001): bridging timescales from milliseconds to minutes by scanning tunneling microscopyGura, Leonard / Yang, Zechao / Paier, Joachim / Kalaß, Florian / Brinker, Matthia / Junkes, Heinz / Heyde, Marku / Freund, Hans-Joachim et al. | 2022
- 15271
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Improved photocatalytic activity of TiO2 nanoparticles through nitrogen and phosphorus co-doped carbon quantum dots: an experimental and theoretical studyYashwanth, H. J. / Rondiya, Sachin R. / Dzade, Nelson Y. / Hoye, Robert L. Z. / Choudhary, Ram J. / Phase, Deodatta M. / Dhole, Sanjay D. / Hareesh, K. et al. | 2022
- 15280
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Ionization cross sections in collisions between two hydrogen atoms by a quasi-classical trajectory Monte Carlo modelAl Atawneh, Saed J. / Tőkési, K. et al. | 2022
- 15292
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Selective and sensitive toxic gas-sensing mechanism in a 2D Janus MoSSe monolayerBabariya, Bindiya / Raval, Dhara / Gupta, Sanjeev K. / Gajjar, P. N. et al. | 2022
- 15305
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Insight on noncovalent interactions and orbital constructs in low-dimensional antimony halide perovskitesNicholas, Aaron D. / Garman, Leah C. / Albano, Nicolina / Cahill, Christopher L. et al. | 2022
- 15321
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Full-dimensional quantum mechanical calculations for the tunneling behavior of HOCO dissociation to H + CO2Ma, Dandan / Ma, Jianyi et al. | 2022
- 15330
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Premelting layer during ice growth: role of clustersCui, Shifan / Chen, Haoxiang / Zhao, Zhengpu et al. | 2022
- 15340
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Nanostructure engineering of two-dimensional diamonds toward high thermal conductivity and approaching zero Poisson's ratioHu, Yanxiao / Li, Ding / Feng, Chunbao / Li, Shichang / Chen, Bole / Li, Dengfeng / Zhang, Gang et al. | 2022
- 15349
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Double-doped YVO4 nanoparticles as optical dual-center ratiometric thermometersKolesnikov, Ilya E. / Mamonova, Daria V. / Kurochkin, Mikhail A. / Medvedev, Vassily A. / Bai, Gongxun / Ivanova, Tatiana Yu. / Borisov, Evgenii V. / Kolesnikov, Evgenii Yu. et al. | 2022
- 15357
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Mechanisms for sonochemical oxidation of nitrogenQureishy, Thoma / Løyland, Sverre / Jørgensen, Susanne J. / Færgestad, Eline M. / Norby, Trul / Uggerud, Einar et al. | 2022
- 15365
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Nanosecond solvation dynamics of the hematite/liquid water interface at hybrid DFT accuracy using committee neural network potentialsSchienbein, Philipp / Blumberger, Jochen et al. | 2022
- 15376
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Comprehensive understanding of intrinsic mobility and sub-10 nm quantum transportation in Ga2SSe monolayerSa, Baisheng / Shen, Xiaotian / Cai, Shuchang / Cui, Zhou / Xiong, Rui / Xu, Chao / Wen, Cuilian / Wu, Bo et al. | 2022
- 15389
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High-efficiency photoreduction of CO2 in a low vacuumLiu, Yuxin / Kang, Shuai / Li, Tinghua / Hu, Zhuofeng / Ren, Yiwei / Pan, Ziwei / Fu, Xie / Wang, Liang / Feng, Shuanglong / Luo, Jinling et al. | 2022
- 15397
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Studies of pyrroloquinoline quinone species in solution and in lanthanide-dependent methanol dehydrogenasesDanaf, Nader Al / Kretzschmar, Jerome / Jahn, Berenice / Singer, Helena / Pol, Arjan / Op den Camp, Huub J. M. / Steudtner, Robin / Lamb, Don C. / Drobot, Björn / Daumann, Lena J. et al. | 2022
- 15406
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Water dynamics in human cancer and non-cancer tissuesMarques, M. P. M. / Santos, I. P. / Batista de Carvalho, A. L. M. / Mamede, A. P. / Martins, C. B. / Figueiredo, P. / Sarter, M. / Sakai, V. García / Batista de Carvalho, L. A. E. et al. | 2022
- 15416
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Multichannel photodissociation dynamics in CS2 studied by ultrafast electron diffractionRazmus, Weronika O. / Acheson, Kyle / Bucksbaum, Philip / Centurion, Martin / Champenois, Elio / Gabalski, Ian / Hoffman, Matthias C. / Howard, Andrew / Lin, Ming-Fu / Liu, Yusong et al. | 2022
- 15428
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Selective catalytic reduction of NOx with ammonia (NH3-SCR) over copper loaded LEV type zeolites synthesized with different templatesHoffmann, Andrea / De Prins, Michiel / Sree, Sreeprasanth Pulinthanathu / Vanbutsele, Gina / Smet, Sam / Chandran, C. Vinod / Radhakrishnan, Sambhu / Breynaert, Eric / Martens, Johan A. et al. | 2022
- 15439
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Structural correlations in highly asymmetric binary charged colloidal mixturesAllahyarov, Elshad / Löwen, Hartmut / Denton, Alan R. et al. | 2022
- 15452
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Thermodynamic stability of Pd–Ru alloy nanoparticles: combination of density functional theory calculations, supervised learning, and Wang–Landau samplingNanba, Yusuke / Koyama, Michihisa et al. | 2022
- 15462
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Hydration shell model for expeditious and reliable individual hydrogen bond energies in large water clustersAhirwar, Mini Bharati / Gurav, Nalini D. / Gadre, Shridhar R. / Deshmukh, Milind M. et al. | 2022
- 15474
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Visualization of 3D to quasi 2D conversion of perovskite thin films via in situ photoluminescence measurement: a facile route to design a graded energy landscapeKumar, Jitendra / Yadav, Ankur / Bag, Monojit et al. | 2022
- 15484
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Characterizing the n→π* interaction of pyridine with small ketones: a rotational study of pyridine⋯acetone and pyridine⋯2-butanoneLópez, Juan Carlo / Alkorta, Ibon / Macario, Alberto / Blanco, Susana et al. | 2022
- 15494
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Effect of unwanted guest molecules on the stacking configuration of covalent organic frameworks: a periodic energy decomposition analysisWonanke, A. D. Dinga / Addicoat, Matthew A. et al. | 2022
- 15502
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Multi-colour circularly polarized luminescence properties of chiral Schiff-base boron difluoride complexesIkeshita, Masahiro / Suzuki, Takato / Matsudaira, Kana / Kitahara, Maho / Imai, Yoshitane / Tsuno, Takashi et al. | 2022
- 15511
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A caveat of the charge-extrapolation scheme for modeling electrochemical reactions on semiconductor surfaces: an issue induced by a discontinuous Fermi level changeLiu, Yu / Ding, Xinlong / Chen, Mohan / Xu, Shenzhen et al. | 2022
- 15522
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Molecular dynamics simulations of proton conducting media containing phosphoric acidJinnouchi, Ryosuke et al. | 2022
- 15532
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Time-dependent wave packet dynamics study of the resonances in the H + LiH+(v = 0, j = 0) → Li+ + H2 reaction at low collision energiesMao, Ye / Buren, Bayaer / Yang, Zijiang / Chen, Maodu et al. | 2022
- 15540
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Probing the molecular structure of aqueous triiodide via X-ray photoelectron spectroscopy and correlated electron phenomenaAhsan, Md Sabbir / Kochetov, Vladislav / Hein, Denni / Bokarev, Sergey I. / Wilkinson, Iain et al. | 2022
- 15556
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Low recombination rates and improving charge transfer as decisive conditions for high current densities and fill factors in ZnS complex systemsDias Fernandes, Cristian / Meneghetti Ferrer, Mateu / Wienke Raubach, Cristiane / Ceretta Moreira, Eduardo / Timm Gularte, Luciano / da Silva Cava, Sérgio / Lovato Gomes Jardim, Pedro / Dadalto Carvalho, Ramon / Longo, Elson / Moreira, Mario Lucio et al. | 2022
- 15565
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Adsorption of NO, NO2 and H2O in divalent cation faujasite type zeolites: a density functional theory screening approachDaouli, Ayoub / Hessou, Etienne Paul / Monnier, Hubert / Dziurla, Marie-Antoinette / Hasnaoui, Abdellatif / Maurin, Guillaume / Badawi, Michael et al. | 2022
- 15579
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Highly efficient metalloporphyrin-based nanosensors for NO detectionOstovan, Azar / Naghavi, S. Shahab et al. | 2022
- 15588
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Insight into the inclusion of heteroatom impurities in silicon structuresMaji, Rita / Luppi, Eleonora / Degoli, Elena / Contreras-García, Julia et al. | 2022
- 15603
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Correction: The synergic effect between Mo species and acid sites in Mo/HMCM-22 catalysts for methane aromatizationMa, Ding / Zhu, Qingjun / Wu, Zili / Zhou, Danhong / Shu, Yuying / Xin, Qin / Xu, Yide / Bao, Xinhe et al. | 2022
- 15604
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Correction: Modeling the heating and cooling of a chromophore after photoexcitationVentura, Elizete / do Monte, Silmar Andrade / do Casal, Mariana T. / Pinheiro, Max / Toldo, Josene Maria / Barbatti, Mario et al. | 2022
- 15605
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Back cover| 2022