Subject Terms: Chemical sciences, carbon-based materials, density functional theory, descriptor, electrocatalysis, molecular dynamics
Relation: Frontiers in Chemistry; Han, Y; Xu, H; Li, Q; Du, A; Yan, X, DFT-assisted low-dimensional carbon-based electrocatalysts design and mechanism study: a review, Frontiers in Chemistry, 2023, 11, pp. 1286257; http://hdl.handle.net/10072/427108
Authors: Wang, Yun, Gould, Tim, Dobson, John F, Zhang, Haimin, Yang, Huagui, Yao, Xiangdong, Zhao, Huijun
Subject Terms: Physical sciences, Condensed matter modelling and density functional theory, Chemical sciences, Engineering
File Description: application/pdf
Relation: Physical Chemistry Chemical Physics; http://hdl.handle.net/10072/62164
Authors: Wang, Yun, Zhao, Huijun
Subject Terms: Physical sciences, Condensed matter modelling and density functional theory, Chemical sciences, Engineering
File Description: application/pdf
Relation: Physical Chemistry Chemical Physics; http://hdl.handle.net/10072/64833
Authors: Dobson, John F, Gould, Tim, Vignale, Giovanni
Subject Terms: Condensed matter physics, Condensed matter modelling and density functional theory, Quantum physics, Quantum physics not elsewhere classified, Physical sciences
File Description: application/pdf
Relation: Physical Review X; http://hdl.handle.net/10072/61335
Authors: Gould, Tim, Liu, Ze, Liu, Jefferson Zhe, Dobson, John F, Zheng, Quanshui, Lebegue, S
Subject Terms: Physical sciences, Condensed matter modelling and density functional theory, Chemical sciences, Engineering
File Description: application/pdf
Relation: The Journal of Chemical Physics; http://hdl.handle.net/10072/56523
Authors: Wang, Yun, Zhang, Haimin, Liu, Porun, Yao, Xiangdong, Zhao, Huijun
Subject Terms: Condensed matter modelling and density functional theory, Chemical sciences, Inorganic green chemistry, Theoretical quantum chemistry
File Description: application/pdf
Relation: RSC Advances; http://hdl.handle.net/10072/56024
Authors: Gould, Tim, Lebegue, S, Dobson, John F
Subject Terms: Condensed matter physics, Condensed matter modelling and density functional theory, Materials engineering, Nanotechnology
File Description: application/pdf
Relation: Journal of Physics: Condensed Matter; http://hdl.handle.net/10072/57256
Authors: Dobson, John F, Gould, Tim
Subject Terms: Condensed matter physics, Condensed matter modelling and density functional theory, Materials engineering, Nanotechnology
File Description: application/pdf
Relation: Journal of Physics: Condensed Matter; http://hdl.handle.net/10072/46865
Authors: Gould, Tim, Dobson, John F
Subject Terms: Condensed matter modelling and density functional theory
File Description: application/pdf
Relation: Physical Review B: Condensed Matter and Materials Physics; http://hdl.handle.net/10072/42395
Authors: Lebegue, S, Harl, J, Gould, Tim, Angyan, JG, Kresse, G, Dobson, JF
Subject Terms: Mathematical sciences, Physical sciences, Condensed matter modelling and density functional theory, Engineering
File Description: application/pdf
Relation: Physical Review Letters; http://hdl.handle.net/10072/36781
Authors: Dobson, John F, Gould, Timothy, Klich, Israel
Subject Terms: Mathematical sciences, Physical sciences, Condensed matter modelling and density functional theory, Chemical sciences
File Description: application/pdf
Relation: Physical Review A (Atomic, Molecular and Optical Physics); http://pra.aps.org/; http://hdl.handle.net/10072/30971
Authors: Gould, Tim, Gray, Evan, Dobson, John F
Subject Terms: Physical sciences, Condensed matter modelling and density functional theory, Chemical sciences, Engineering
File Description: application/pdf
Relation: Physical Review B: Condensed Matter and Materials Physics; http://hdl.handle.net/10072/25423
Subject Terms: Condensed Matter Modelling and Density Functional Theory
Relation: Encyclopedia of Continuum Mechanics; http://hdl.handle.net/10072/381467
Authors: Dobson, John
Subject Terms: Condensed Matter Modelling and Density Functional Theory
Relation: Fundamentals of Time-dependent Density Functional Theory; http://link.springer.com/chapter/10.1007%2F978-3-642-23518-4_22; http://hdl.handle.net/10072/48792
Availability: http://hdl.handle.net/10072/48792
Authors: Wang, Yun, Zhang, Haimin, Yao, Xiangdong, Zhao, Huijun
Subject Terms: Condensed matter modelling and density functional theory, Chemical sciences, Inorganic green chemistry, Theoretical quantum chemistry, Engineering
Relation: The Journal of Physical Chemistry C: Nanomaterials, Interfaces and Hard Matter; http://hdl.handle.net/10072/56059
Authors: Wang, Yun, Zhang, Haimin, Yao, Xiangdong, Zhao, Huijun
Subject Terms: Condensed matter modelling and density functional theory, Chemical sciences, Inorganic green chemistry, Theoretical quantum chemistry, Engineering, Physical sciences
Relation: ACS Applied Materials and Interfaces; http://hdl.handle.net/10072/56079