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Chemical Physics

Current research reports and chronological list of recent articles..




The international scientific journal Chemical Physics welcomes experimental and theoretical papers in the molecular, biological and materials sciences.

The publisher is Elsevier. The copyright and publishing rights of specialized products listed below are in this publishing house. This is also responsible for the content shown.

To search this web page for specific words type "Ctrl" + "F" on your keyboard (Command + "F" on a Mac). Then: type the word you are searching for in the window that pops up!

Additional research articles see Current Chemistry Research Articles. Magazines with similar content (chemical physics):

 - ChemPhysChem.

 - Faraday Discussions.

 - Journal of Chemical Physics.

 - Journal of Physical Chemistry.

 - Physical Chemistry Chemical Physics PCCP.



Chemical Physics - Abstracts



TD-carbon: A new face-centered cubic carbon allotrope

Publication date: 1 March 2022

Source: Chemical Physics, Volume 555

Author(s): Yu Cao, Chao Zhang, Xian-Yong Ding, Hua-Jin Hu, Chengling Pan, Feng-Shou Zhang


Datum:


Spin-orbit coupling effect on pressure-induced phase transitions, magnetic, and electronic properties in YFeO<sub>3</sub>: A first-principles study

Publication date: 1 March 2022

Source: Chemical Physics, Volume 555

Author(s): Zhang-Yao Xing, Xiao-Yu Kuang, Ai-Jie Mao, Hao Tian, Miao Yu, Yingqi Cui, Jia-Si Qiu


Datum:


Spectroscopic and molecular docking approach of the interaction of vitamins with human serum transferrin

Publication date: 1 March 2022

Source: Chemical Physics, Volume 555

Author(s): Nicoleta Cazacu, Aurel I. Popescu, Claudia G. Chilom


Datum:


An interpretable hybrid Machine learning prediction of dielectric constant of alkali halide crystals

Publication date: 1 March 2022

Source: Chemical Physics, Volume 555

Author(s): Jiandong Deng, Guozhu Jia


Datum:


Phase transition in an 1D interacting dimers: An exact and simulational study

Publication date: 1 March 2022

Source: Chemical Physics, Volume 555

Author(s): L.S. Ferreira, L.N. Jorge, Minos A. Neto, A.A. Caparica


Datum:


The effects and mechanism of the magnetic field on the hydrogen abstraction reaction of benzophenone and isopropanol

Publication date: 1 March 2022

Source: Chemical Physics, Volume 555

Author(s): Ning Dai, Zhipeng Cai, Xu Zhang, Kejian Li


Datum:


Investigation of [CHCl<sub>3</sub>-CH<sub>3</sub>OH] complex using matrix-isolation IR spectroscopy and quantum chemical calculation: Evidence of hydrogen- and halogen-bonding interaction

Publication date: 1 March 2022

Source: Chemical Physics, Volume 555

Author(s): Dhritabrata Pal, Amrita Chakraborty, Shamik Chakraborty


Datum:


Unraveling local structure of molten salt KF-KCl-KI via molecular dynamics simulation

Publication date: 1 March 2022

Source: Chemical Physics, Volume 555

Author(s): Alexander Y. Galashev, Ksenia A. Ivanichkina


Datum:


Analytical treatment of the structure for systems interacting via core-softened potentials

Publication date: 1 March 2022

Source: Chemical Physics, Volume 555

Author(s): Jean-Louis Bretonnet, Jean-Marc Bomont


Datum:


A novel ligand swing-mediated active site coordination change of human apurinic/apyrimidinic endonuclease 1: A potential cytotoxic mechanism of nickel ion in the base excision repair

Publication date: 1 March 2022

Source: Chemical Physics, Volume 555

Author(s): Zhixiang Wu, Huaichuan Duan, Yan Cheng, Du Guo, Lianxin Peng, Yichen Hu, Jianping Hu, Ting Luo


Datum:


The multi-configurational time-dependent Hartree approach in optimized second quantization: Thermal ensembles and statistical sampling

Publication date: 1 March 2022

Source: Chemical Physics, Volume 555

Author(s): Thomas Weike, Uwe Manthe


Datum:


A theoretical study of the mono-substituent effect of superhalogens on the geometric structure, electronic properties, and hydrolysis of cisplatin

Publication date: 1 March 2022

Source: Chemical Physics, Volume 555

Author(s): Xin Cheng, Ya-Ling Ye, Li Zhang, Kai-Wen Zheng, Xiang-Hui Li, Wei-Ming Sun


Datum:


Effects of van der Waals interaction on the adsorption of H<sub>2</sub> on MoS<sub>2</sub> monolayers and nanoribbons

Publication date: 1 March 2022

Source: Chemical Physics, Volume 555

Author(s): R. Bertel, M.E. Mora-Ramos, J.D. Correa


Datum:


First-principles calculations of molecular adsorption on the surface of two-dimensional BCOH

Publication date: 1 March 2022

Source: Chemical Physics, Volume 555

Author(s): Xing Hong Cai, Qiang Yang, Qun Hui, Min Wang


Datum:


Structure of PtRu/Ru(0 0 0 1) and AgPd/Pd(1 1 1) surface alloys: A kinetic Monte Carlo study

Publication date: 1 March 2022

Source: Chemical Physics, Volume 555

Author(s): David Mahlberg, Sung Sakong, Axel Groß


Datum:


Defect modulated electronic structure and magnetism in the 1T′ phase of Janus MoSSe

Publication date: 1 March 2022

Source: Chemical Physics, Volume 555

Author(s): Jia-Wen Li, Sha-Sha Ke, Hong-Xiang Deng, Xu Sun, Yong Guo, Hai-Feng Lü


Datum:


Adsorption and decomposition of <math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si14.svg" class="math"><mrow><msub><mi mathvariant="bold">H</mi><mn>2</mn></msub><mi mathvariant="bold">S</mi></mrow></math> on <math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si15.svg" class="math"><mrow><msub><mi mathvariant="bold">C</mi><mn>2</mn></msub><mi mathvariant="bold">N</mi></mrow></math> sheet with embedded manganese atom: First-principles calculations

Publication date: 1 March 2022

Source: Chemical Physics, Volume 555

Author(s): Yusuf Zuntu Abdullahi, Tiem Leong Yoon, Thong Leng Lim


Datum:


Tuning the electronic and optical properties of two-dimensional hydrogenated c-BN nanosheets by Be and C dopants and vacancy defects

Publication date: 1 March 2022

Source: Chemical Physics, Volume 555

Author(s): Jia Li, Yonghui Du, Miao Zhang, Jian Zhang, Jiajia Mu, Lili Gao, Chao Zhang, Xing Dai, Yibo Ma


Datum:


Manipulating the dynamics of a Fermi resonance with light. A direct optimal control theory approach

Publication date: 1 March 2022

Source: Chemical Physics, Volume 555

Author(s): Alejandro R. Ramos Ramos, Oliver Kühn


Datum:


Effect of single and double methylation on the position of the <math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si12.svg" class="math"><mrow><msup><mrow><mi>π</mi></mrow><mrow><mo>∗</mo></mrow></msup></mrow></math> shape resonance of formamide and acetamide

Publication date: 1 March 2022

Source: Chemical Physics, Volume 555

Author(s): Murilo O. Silva, Giseli M. Moreira, Márcio H.F. Bettega, Sergio d’Almeida Sanchez


Datum:


Thermophysical properties of helium and hydrogen mixtures under high pressure predicted by ab-initio calculations: Implications for Saturn and Jupiter planets

Publication date: 1 March 2022

Source: Chemical Physics, Volume 555

Author(s): Mustapha Zidane, El Mehdi Salmani, Arnab Majumdar, Meryem Elmoulat, Mustapha Bghour, A. Labrag, Hamid Ez-Zahraouy, Abdelilah Benyoussef, Rajeev Ahuja


Datum:


A comparative study of the structural, electronic, vibrational, dielectric and elastic properties of the two phases CaAgBi through first-principles calculations

Publication date: 1 March 2022

Source: Chemical Physics, Volume 555

Author(s): Wen-Xuan Xu, Li Deng, Zhao Wang, Jing Chang, Cai Cheng


Datum:


Reactions of OH and OD radicals with ethanethiol and diethylsulfide: Branching ratio and vibrational energy disposal for the product water molecules

Publication date: 1 March 2022

Source: Chemical Physics, Volume 555

Author(s): Nadezhda I. Butkovskaya, Donald W. Setser


Datum:


O<sub>2</sub> on Ag(110): A puzzle for exchange-correlation functionals

Publication date: 1 February 2022

Source: Chemical Physics, Volume 554

Author(s): Ivor Lončarić, Maite Alducin, J. Iñaki Juaristi


Datum:


Influence of supercell size on Gas-Surface Scattering: A case study of CO scattering from Au(1&nbsp;1&nbsp;1)

Publication date: 1 February 2022

Source: Chemical Physics, Volume 554

Author(s): Ce Hu, Qidong Lin, Hua Guo, Bin Jiang


Datum:


Graphical abstract TOC

Publication date: 1 February 2022

Source: Chemical Physics, Volume 554

Author(s):


Datum:


content continued

Publication date: 1 February 2022

Source: Chemical Physics, Volume 554

Author(s):


Datum:


First principle molecular dynamics of hydroxyl radical induced oxidation of guanine and 2′-deoxyguanosine 5′-monophosphate in a cluster of water molecules

Publication date: 1 February 2022

Source: Chemical Physics, Volume 554

Author(s): Laure Lespade, Sylvie Bercion


Datum:


Nanoconfinement induced electroluminescence spectrum shift in organic light-emitting diodes

Publication date: 1 February 2022

Source: Chemical Physics, Volume 554

Author(s): Wei Zhao, Qikun Li, Chengming Jiang, Sheng Bi, Jinhui Song


Datum:


Oxidation reactions of carbaryl in aqueous solutions

Publication date: 1 February 2022

Source: Chemical Physics, Volume 554

Author(s): Sreekanth R. Nair, Sunil Paul M. Menacherry, S. Renjith, T.K. Manojkumar, Usha K. Aravind, Charuvila T. Aravindakumar


Datum:


Kinetics and thermodynamics of silicon carbide physical vapor transport reactions: A quantum chemistry and kinetic Monte Carlo approach

Publication date: 1 February 2022

Source: Chemical Physics, Volume 554

Author(s): Ahmed Abubakar Alao, Wen-Dung Hsu


Datum:


Calix[4]pyrrole based scrupulous probe for track on of tryptophan: Host-guest interaction, in silico modeling and molecular docking insights

Publication date: 1 February 2022

Source: Chemical Physics, Volume 554

Author(s): Ajay L. Desai, Keyur Bhatt, Krunal M. Modi, Nihal P. Patel, Manthan Panchal, Anita Kongor, Chirag N. Patel, Alan Liška


Datum:


Energy-based fragmentation contribution approach for calculating the fluorescence spectrum of biomacromolecules

Publication date: 1 February 2022

Source: Chemical Physics, Volume 554

Author(s): Yunfan Yang, Jianjie Xu, Yonggang Liu, Qiangqiang Liu, Junhong Yu, Tengxiao Guo, Junhua Xiao, Jianbo Hu


Datum:


Alkali-free synthesis of hexagonal star-like Fe-ethylene glycol (Fe-EG) complex and subsequently decomposition to α-Fe<sub>2</sub>O<sub>3</sub> and Fe<sub>3</sub>O<sub>4</sub>/α-Fe/C composites

Publication date: 1 March 2022

Source: Chemical Physics, Volume 555

Author(s): Jia Ni, Yong Jia, Yin-Ping Jiang, Ren-Jie Zhang, Fang Fang, Yong-Xing Zhang


Datum:


Graphical abstract TOC

Publication date: 1 February 2022

Source: Chemical Physics, Volume 554

Author(s):


Datum:


Pulsed-cavity ring down spectroscopic study of NO<sub>2</sub> in 501–506 nm spectral region

Publication date: 1 February 2022

Source: Chemical Physics, Volume 554

Author(s): Ayan Kumar Pal, Naveen Kumar, R.J. Kshirsagar


Datum:


Relationship between ion vacancy mobility and hysteresis of perovskite solar cells

Publication date: 1 February 2022

Source: Chemical Physics, Volume 554

Author(s): Zedong Lin


Datum:


First-principles calculations to investigate the electronic and optical properties of Cu<sub>2</sub>ZnSnS<sub>4</sub> with Ag and Se codoping

Publication date: 1 February 2022

Source: Chemical Physics, Volume 554

Author(s): Diwen Liu, Huan Peng, Qiqi Zhang, Rongjian Sa


Datum:


Cobalt, nickel and copper doped non-stoichiometric cadmium gallate as a prominent magnetic and photocatalytic material

Publication date: 1 February 2022

Source: Chemical Physics, Volume 554

Author(s): Pankaj Gupta, Richa Tomar, Mohit Sahni, Sunil Chauhan


Datum:


Electrospun nano-Ir anchored mesoporous carbon nanofibers for hydrogen evolution reaction

Publication date: 1 February 2022

Source: Chemical Physics, Volume 554

Author(s): Ruilin He, Yingnan Yang, Pan Yang, Xiaochong Zhao, Jing Zhu, Ruizhu Yang, Qingsong Huang, Lijun Yang


Datum:


A case study of dispersion behaviors of TiC nanoparticles in molten Al

Publication date: 1 February 2022

Source: Chemical Physics, Volume 554

Author(s): Xuehong Zhang, Hailong Li, Tao Wang, Shiguang Hao


Datum:


A quantum Monte Carlo study of systems with effective core potentials and node nonlinearities

Publication date: 1 February 2022

Source: Chemical Physics, Volume 554

Author(s): Haihan Zhou, Anthony Scemama, Guangming Wang, Abdulgani Annaberdiyev, Benjamin Kincaid, Michel Caffarel, Lubos Mitas


Datum:


Editorial Board

Publication date: 1 February 2022

Source: Chemical Physics, Volume 554

Author(s):


Datum:


Surprisal Analysis of Diffusion Processes

Publication date: Available online 20 January 2022

Source: Chemical Physics

Author(s): Rajendran Saravanan, R.D. Levine


Datum:


Wave Function Identity: A New Symmetry for 2-electron Systems in an Electromagnetic Field

Publication date: Available online 10 January 2022

Source: Chemical Physics

Author(s): Marlina Slamet, Viraht Sahni


Datum:


 


Category: Current Chemistry Research

Last update: 28.03.2018.






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