Physics

Publication date: 1 November 2023Source: Chemical Physics, Volume 575Author(s): V. Guder Continue reading Concentration dependence of microstructural evolution of Zr-Pt liquid alloys: A molecular dynamics study→

Publication date: 1 November 2023Source: Chemical Physics, Volume 575Author(s): Hiroshi Abe, Hiroaki Kishimura, Mikio Uruichi, Hajime Sagayama Continue reading Crystal polymorphs and molecular conformations of fluorinated ionic liquid: 1-Ethyl-3-methylimidazolium perfluorobutanesulfonate→

Publication date: 1 November 2023Source: Chemical Physics, Volume 575Author(s): E. Güler, Ş. Uğur, M. Güler, G. Uğur Continue reading Unveiling the electronic, optical, and thermoelectrical properties of bulk and monolayer AlSiTe₃ by first principles→

Publication date: 1 November 2023Source: Chemical Physics, Volume 575Author(s): Wei Ge, Hengheng Mao, Yunjia Ling, Fanfei Min, Jun Chen, Lingyun Liu, Yong Zhang, Shaoxian Song Continue reading Insight into the adsorption mechanism between chitosan and kaolinite surface by density functional theory calculation→

Publication date: 1 November 2023Source: Chemical Physics, Volume 575Author(s): Li Wen, Yuanxia Sun, Wentao Li Continue reading Non-adiabatic dynamical studies of the Rb(5²P) + H₂(X¹ <math xmlns:mml=”http://www.w3.org/1998/Math/MathML” altimg=”si29.svg” class=”math”><msubsup><mi mathvariant=”normal”>Σ</mi><mrow><mi mathvariant=”bold”>g</mi></mrow><mo>+</mo></msubsup></math>) → RbH(X¹Σ⁺) + H(²s) reaction based on new diabatic potential energy surfaces→

Publication date: 1 November 2023Source: Chemical Physics, Volume 575Author(s): Mumtaz Manzoor, Muhammad Waqas Iqbal, Shahbaz Riaz, Badriah S. Almutairi, Ejaz Ahmad Khera, Mazia Asghar, Mohd Zahid Ansari, Rabah Khenata, Saad Bin-Omran, Muhammad Aslam Continue reading First-principles calculations to investigate structural, electronic, optical and thermoelectric properties of novel double perovskite Cs₂CeAgX₆ (X = Cl, Br) for optoelectronic and thermoelectric applications→

Publication date: 1 November 2023Source: Chemical Physics, Volume 575Author(s): Nabin Kumar Karna, Alexandra Maria Kozlowski, Merima Hasani Continue reading Unraveling the thermodynamics of the CO₂ driven precipitation of cellulose in aqueous NaOH→

Publication date: 1 November 2023Source: Chemical Physics, Volume 575Author(s): Baoming Hou, Meiqi Liu, Yuheng Li, Yuyu Pan, Bing Yang Continue reading Effect of cyano substitution in TADF molecules on luminescence properties: A theoretical study→

Publication date: 1 November 2023Source: Chemical Physics, Volume 575Author(s): Zhiru Li, Xuelian Chen, Lei Wang, Meixia Xiao, Yu Shang, Weiwei Han, Ying Lv Continue reading Photo-induced surface oxygen vacancies for effective promotion of the photocatalytic properties over hierarchical layered Bi₂O₂(OH)NO₃→

Publication date: 1 November 2023Source: Chemical Physics, Volume 575Author(s): Kaifu Zhong, Qiang Yang, Yao Tong, Wutang Zhang, Xinghong Cai, Min Wang Continue reading Theoretical studies of the dissociation of Mn atoms on different crystal surfaces of LiMn_0.5Fe_0.5PO₄→