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1.
Pressure-induced superconductivity of Ac-B-H hydrides.
Phys Chem Chem Phys
; 25(33): 22032-22039, 2023 Aug 23.
Article
in English
| MEDLINE | ID: mdl-37555344
2.
Identification of Dual-Target Inhibitors for Epidermal Growth Factor Receptor and AKT: Virtual Screening Based on Structure and Molecular Dynamics Study.
Molecules
; 28(22)2023 Nov 15.
Article
in English
| MEDLINE | ID: mdl-38005329
3.
Energy decomposition analysis of cationic carbene analogues with group 13 and 16 elements as a central atom: a comparative study.
Phys Chem Chem Phys
; 24(15): 8970-8978, 2022 Apr 13.
Article
in English
| MEDLINE | ID: mdl-35380132
4.
Structures and localized vibrational states of defects in graphite by tight-binding calculations.
Phys Chem Chem Phys
; 24(36): 22057-22066, 2022 Sep 21.
Article
in English
| MEDLINE | ID: mdl-36070485
5.
Study on superconducting Li-Se-H hydrides.
Phys Chem Chem Phys
; 24(14): 8415-8421, 2022 Apr 06.
Article
in English
| MEDLINE | ID: mdl-35343544
6.
Localized electronic and vibrational states in amorphous diamond.
Phys Chem Chem Phys
; 23(8): 4835-4840, 2021 Mar 04.
Article
in English
| MEDLINE | ID: mdl-33605963
7.
Ultra-coarse-graining modeling of liquid water.
J Chem Phys
; 154(22): 224506, 2021 Jun 14.
Article
in English
| MEDLINE | ID: mdl-34241208
8.
Transcriptome analysis revealed that multiple genes were related to the cyflumetofen resistance of Tetranychus cinnabarinus (Boisduval).
Pestic Biochem Physiol
; 173: 104799, 2021 Mar.
Article
in English
| MEDLINE | ID: mdl-33771268
9.
A three-point coarse-grained model of five-water cluster with permanent dipoles and quadrupoles.
Phys Chem Chem Phys
; 22(45): 26289-26298, 2020 Nov 25.
Article
in English
| MEDLINE | ID: mdl-33174895
10.
Characterization of three phases of liquid carbon by tight-binding molecular dynamics simulations.
Phys Chem Chem Phys
; 22(26): 14630-14636, 2020 Jul 08.
Article
in English
| MEDLINE | ID: mdl-32568353
11.
Novel superconducting structures of BH2 under high pressure.
Phys Chem Chem Phys
; 21(10): 5466-5473, 2019 Mar 06.
Article
in English
| MEDLINE | ID: mdl-30783641
12.
Theoretical investigation of real-time charge dynamics in open systems coupled to bulk materials.
J Chem Phys
; 150(17): 174119, 2019 May 07.
Article
in English
| MEDLINE | ID: mdl-31067870
13.
Theoretical Prediction of Si2-Si33 Absorption Spectra.
J Phys Chem A
; 121(34): 6388-6397, 2017 Aug 31.
Article
in English
| MEDLINE | ID: mdl-28686439
14.
Si78 double cage structure and special optical properties.
Phys Chem Chem Phys
; 17(41): 27734-41, 2015 Nov 07.
Article
in English
| MEDLINE | ID: mdl-26435173
15.
Geometric and electronic structures of potassium-adsorbed rubrene complexes.
J Chem Phys
; 142(24): 244702, 2015 Jun 28.
Article
in English
| MEDLINE | ID: mdl-26133444
16.
Structures and electronic properties of the SiAu(n) (n = 17-20) clusters.
J Phys Chem A
; 117(13): 2672-7, 2013 Apr 04.
Article
in English
| MEDLINE | ID: mdl-23373572
17.
AmberMDrun: A Scripting Tool for Running Amber MD in an Easy Way.
Biomolecules
; 13(4)2023 03 31.
Article
in English
| MEDLINE | ID: mdl-37189382
18.
Study of fusion peptide release for the spike protein of SARS-CoV-2.
RSC Adv
; 13(25): 16970-16983, 2023 Jun 05.
Article
in English
| MEDLINE | ID: mdl-37288377
19.
Ground and excited states of even-numbered Hubbard ring at half-filling: comparison of the extended Gutzwiller approach with exact diagonalization.
J Phys Condens Matter
; 35(26)2023 Apr 12.
Article
in English
| MEDLINE | ID: mdl-36972616
20.
High island densities and long range repulsive interactions: Fe on epitaxial graphene.
Phys Rev Lett
; 109(2): 026103, 2012 Jul 13.
Article
in English
| MEDLINE | ID: mdl-23030184