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Physical Chemistry Chemical Physics

IF2.9
Papers4531
Citations124069
Journal Papers 4000
Publication Date
Can the outcome of an aromatic edge migration be predicted on-the-fly?
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deleteMichael Frenklach Corresponding Author; Alexander M. Mebel Corresponding Author
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Heteroaryl functionalized tetraphenylethylene for AIE and mechanochromism
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deleteNikhil Ji Tiwari; Vivak Kandpal; Kushagra Pratap Rana; Rajneesh Misra Corresponding Author
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Does a hydration structure above gold imply a clean surface?
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deleteAntonia Köhler; Ralf Bechstein; Michael Reichling; Angelika Kühnle Corresponding Author
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Ultraviolet-visible-near-infrared absorption cross-sections of liquid oleic acid: contributions of overtone vibrations and impurities
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deleteShota Saito; Raiki Nishizawa; Naoki Numadate; Shinichi Enami; Hirokazu Kobayashi; Tetsuya Hama Corresponding Author
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Dopant redox stability as a design principle for selective CO2 electroreduction on Cu
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deleteFrancesco Barberini; Antonio Barile; Paolo Restuccia Corresponding Author; Pierfrancesco Atanasio; Daniele Passeri; Devis Di Tommaso; Raffaello Mazzaro Corresponding Author; Luca Pasquini; M. Clelia Righi
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Atmospheric chemistry of CF3CH(OH)CH(OH)CF3, CF3C(O)CH(OH)CF3, and CF3C(O)C(O)CF3: kinetics and mechanisms of reactions with Cl atoms and OH radicals, photolysis, and fate of the oxidation products
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deleteMads P. Sulbaek Andersen Corresponding Author; Morten Frausig; Thomas Rosenoern; Casper Vindahl Jensen; Timothy J. Wallington; Ole John Nielsen
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Modulating dehydrogenative coupling of hydride-terminated silicanes: a systematic study of Lewis base catalysis
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deleteXuebiao Deng; Guoying Yao; Zhenyu Yang Corresponding Author; Tao Zeng Corresponding Author
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Role of oscillatory solvent-mediated interactions for the differential capacitance of an electric double layer
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deleteDaniel L. Z. Caetano; Icaro P. Caruso; Sidney J. de Carvalho; Thereza A. Soares; Sylvio May; Guilherme V. Bossa Corresponding Author
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Unfolding the structural insights, magnetic features and magnetocaloric performance of Gd2FeCrO6 nanoparticles
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deleteK Pushpanjali Patra; Shraddha C. Shirbhate; Akshaykumar Meshram; Vishwajit M. Gaikwad Corresponding Author
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Rate coefficients of the H-migration in aldehydic peroxy radicals, and the reaction of the hydroxyl radical (OH) with unsaturated aldehydes
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deleteHendrik Fuchs Corresponding Author; Luc Vereecken; Florian Berg; Matthew M. Coggon; Chelsea E. Stockwell; Carsten Warneke; Anna Novelli
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Functional dependence of d-state bonding and magnetovolume effects in Heusler alloys
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deleteYurong Ruan; Ke Zhong; Tao Feng; Yabei Wu Corresponding Author; Wenqing Zhang Corresponding Author
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Phonon transport and thermoelectric properties of Heusler-like Li2CuSb enabled by machine-learning interatomic potentials
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deleteMin Li; Lang Chen; Wenjie Yuan; Jingjing Zhang; Liu Yuan; Bole Chen; Chunbao Feng; Shichang Li Corresponding Author; Dengfeng Li Corresponding Author
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Dual-gated self-referenced C4-symmetric graphene metasurface for multiband terahertz refractive-index sensing
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deleteChangjian Li; Jingfei Ye; Fenglin Xian; Zhaolou Cao; Liming Qian; Shixin Pei; Gaige Zheng Corresponding Author
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The catalysed electrophilic aromatic bromination of benzenes: insights from density functional theory and biased molecular dynamics simulations
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deleteXavier Deraet; Eline Desmedt; Massimo Bocus; Veronique Van Speybroeck; Frank De Proft Corresponding Author
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DFT analysis of gamma-secretase interactions with potential inhibitors: therapeutic for Alzheimer's disease
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deleteW. S. Clemente Junior; K. S. Bezerra; E. G. C. Matias; J. I. N. Oliveira; U. L. Fulco Corresponding Author
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Tuning local magnetism of Penta-AlN2via main-group metal adsorption
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deleteJunyu Fang; Hong Zhang Corresponding Author
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Mechanistic insights into the valence state-dependent photogeneration of holes to promote methanol oxidation in Ir-doped BaTiO3
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deleteAmulya Amulya; Sujana Chandrappa; Dharmapura H. K. Murthy Corresponding Author
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