Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics
ISSNs: 1463-9076, 0300-9599, 0014-7672, 1463-9084
Royal Society of Chemistry, United Kingdom
Scopus rating (2023): CiteScore 5.5 SJR 0.721 SNIP 0.803
Journal
Research Output
- 2019
Reaction mechanism between small-sized Ce clusters and water molecules II: an ab initio investigation on Cen (n = 1-3) + mH2O (m = 2-6)
Zhou, R., Ma, S., Yang, Y., Li, D., Qu, B. & Zeng, X. C., 7 May 2019, In: Physical Chemistry Chemical Physics. 21, 17, p. 8945-8955Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
Scopus citations: 8Conformation-induced separation of 3-chloropropene from 1-chloropropane through nanoporous monolayer graphenes
Xu, Y., Zhang, Y., Wang, S., Xu, J. & Yang, C., 7 Mar 2019, In: Physical Chemistry Chemical Physics. 21, 9, p. 5170-5177Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
Scopus citations: 2Towards high-level theoretical studies of large biodiesel molecules: An ONIOM/RRKM/Master-equation approach to the isomerization and dissociation kinetics of methyl decanoate radicals
Meng, Q., Chi, Y., Zhang, L., Zhang, P. & Sheng, L., 7 Mar 2019, In: Physical Chemistry Chemical Physics. 21, 9, p. 5232-5242Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
Scopus citations: 13Reaction mechanism between small-sized Ce clusters and water molecules: an ab initio investigation on Cen + H2O
Zhou, R., Yang, Y., Pande, S., Qu, B., Li, D. & Zeng, X. C., 21 Feb 2019, In: Physical Chemistry Chemical Physics. 21, 7, p. 4006-4014Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
Scopus citations: 9- Published
Transition-metal dichalcogenides/Mg(OH)2 van der Waals heterostructures as promising water-splitting photocatalysts: A first-principles study
Luo, Y., Wang, S., Ren, K., Chou, J., Yu, J., Sun, Z. & Sun, M., 28 Jan 2019, In: Physical Chemistry Chemical Physics. 21, 4, p. 1791-1796Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
Scopus citations: 112 Tuning electronic structure of monolayer InP3 in contact with graphene or Ni: Effect of a buffer layer and intrinsic in and P-vacancy
Li, Z., Qian, M., Song, L., Ma, L., Qiu, H. & Zeng, X. C., 21 Jan 2019, In: Physical Chemistry Chemical Physics. 21, 3, p. 1285-1293Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
Scopus citations: 7- 2018
- Published
Tunable band offsets in the BP/P4O10 van der Waals heterostructure: first-principles calculations
Dou, W., Huang, A., Shi, H., Zhang, X., Zheng, X., Wang, M., Xiao, Z., & 2 others, 21 Dec 2018, In: Physical Chemistry Chemical Physics. 20, 47, p. 29931-29938Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
Scopus citations: 9 - Published
Excited state dynamics study of the self-trapped exciton formation in silicon nanosheets
Ullah, N., Chen, S. & Zhang, R., 14 Dec 2018, In: Physical Chemistry Chemical Physics. 20, 46, p. 29299-29305Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
Scopus citations: 2 - Published
Dissociation of [HCCH]2+ to H2 + and C2 +: a benchmark reaction involving H migration, H-H combination, and C-H bond cleavage
Xu, S., Zhao, H., Zhu, X., Guo, D., Feng, W., Lau, K. & Ma, X., 28 Nov 2018, In: Physical Chemistry Chemical Physics. 20, 44, p. 27725-27729Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
Scopus citations: 18 - Published
Actinide embedded nearly planar gold superatoms: structural properties and applications in surface-enhanced Raman scattering (SERS)
Wang, J., Xie, W., Wang, J., Gao, Y., Lei, J., Zhang, R. & Wang, Z., 21 Nov 2018, In: Physical Chemistry Chemical Physics. 20, 43, p. 27523-27527Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
Scopus citations: 15 - Published
Dynamics changes of CRISPR-Cas9 systems induced by high fidelity mutations
Zheng, L., Shi, J. & Mu, Y., 21 Nov 2018, In: Physical Chemistry Chemical Physics. 20, 43, p. 27439-27448Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
Scopus citations: 16 - Published
First-principles calculations of the electronic properties of SiC-based bilayer and trilayer heterostructures
Li, S., Sun, M., Chou, J., Wei, J., Xing, H. & Hu, A., 14 Oct 2018, In: Physical Chemistry Chemical Physics. 20, 38, p. 24726-24734Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
Scopus citations: 77 - Published
Fragment motion in motor molecules: Basic concepts and application to intra-molecular rotations
Hermann, K. E., Qi, F., Zhao, R., Zhang, R. & Van Hove, M. A., 7 Sept 2018, In: Physical Chemistry Chemical Physics. 20, 33, p. 21487-21497Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
Scopus citations: 5 - Published
Unveiling the complex vibronic structure of the canonical adenine cation
Zhao, H. Y., Lau, K., Garcia, G. A., Nahon, L., Carniato, S., Poisson, L., Schwell, M., & 2 others, 28 Aug 2018, In: Physical Chemistry Chemical Physics. 20, 32, p. 20756-20765Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
Scopus citations: 15 - Published
Revisiting the catalytic mechanism of Mo-Cu carbon monoxide dehydrogenase using QM/MM and DFT calculations
Xu, K. & Hirao, H., 28 Jul 2018, In: Physical Chemistry Chemical Physics. 20, 28, p. 18938-18948Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
Scopus citations: 18 - Published
Simultaneous enhancement of photoluminescence and afterglow luminescence through Bi3+ co-doping in the Sr3Al2O5Cl2: Eu2+ phosphor
Xie, W., Zou, C., Li, S., Sun, J., Kang, F. & Sun, G., 28 May 2018, In: Physical Chemistry Chemical Physics. 20, 20, p. 13983-13993Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
Scopus citations: 12 - Published
Kinetics of the reaction of CO3•−(H2O)n′ n = 0, 1, 2, with nitric acid, a key reaction in tropospheric negative ion chemistry
Van Der Linde, C., Tang, W. K., Siu, C. & Beyer, M. K., 28 Apr 2018, In: Physical Chemistry Chemical Physics. 20, 16, p. 10838-10845Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
Scopus citations: 9 - Published
Charge driven lateral structural evolution of ions in electric double layer capacitors strongly correlates with differential capacitance
Le Ma, J., Meng, Q. & Fan, J., 28 Mar 2018, In: Physical Chemistry Chemical Physics. 20, 12, p. 8054-8063Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
Scopus citations: 19 - Published
Reactions of SO2 and NH3 with epoxy groups on the surface of graphite oxide powder
Xie, W., Weng, L., Chan, C., Yeung, K. L. & Chan, C., 7 Mar 2018, In: Physical Chemistry Chemical Physics. 20, 9, p. 6431-6439Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
Scopus citations: 19 - Published
Investigation of multi-bunching by generating multi-order fluorescence of NV center in diamond
Tang, H., Ahmed, I., Puttapirat, P., Wu, T., Lan, Y., Zhang, Y. & Li, E., 28 Feb 2018, In: Physical Chemistry Chemical Physics. 20, 8, p. 5721-5725Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
Scopus citations: 8
