| 1 |
Adjusting dispersion parameters for the density-functional tight-binding description of molecular crystals
Dolgonos GA, Boese AD
Chemical Physics Letters, 718, 7, 2019 |
| 2 |
Molecular dynamics simulations of ferroelectricity in di-isopropyl-ammonium halide molecular crystals
Huang YD, Hu PF, Song JN, Li YL, Stroppa A
Chemical Physics Letters, 730, 367, 2019 |
| 3 |
Adamantane template effect on the self-assembly of a molecular tetrahedron: A theoretical analysis
Pichierri F
Chemical Physics Letters, 713, 149, 2018 |
| 4 |
Thermodynamic characteristics and phonon density of states of Pt(C5H7O2)(2)
Musikhin AE, Naumov VN, Bespyatov MA, Kuzin TM, Gelfond NV
Thermochimica Acta, 670, 107, 2018 |
| 5 |
Benchmarking calculations of spectral densities for the diagonal and nondiagonal exciton-phonon coupling of tetracene crystal
Zhang J, Zhu CY, Liang WZ
Chemical Physics Letters, 681, 7, 2017 |
| 6 |
The correlation between SHG efficiency and structural peculiarities of [2.2]paracyclophane derivatives
Puntus LN, Sergeeva EV, Antonov DY, Suponitsky KY, Rau I, Kajzar F, Lyssenko KA
Molecular Crystals and Liquid Crystals, 655(1), 16, 2017 |
| 7 |
Crystal structure and solid state ionic conductivity of molecular crystal composed of lithium bis(trifluoromethanesulfonyl)amide and 1,2-dimethoxybenzene in a 1:1 molar ratio
Moriya M, Kato D, Hayakawa Y, Sakamoto W, Yogo T
Solid State Ionics, 285, 29, 2016 |
| 8 |
Remarkable Turn-On and Color-Tuned Piezochromic Luminescence: Mechanically Switching Intramolecular Charge Transfer in Molecular Crystals
Qi QK, Qian JY, Tan X, Zhang JB, Wang LJ, Xu B, Zou B, Tian WJ
Advanced Functional Materials, 25(26), 4005, 2015 |
| 9 |
Elasticity of Crystalline Molecular Explosives
Hooks DE, Ramos KJ, Bolme CA, Cawkwell MJ
Propellants Explosives Pyrotechnics, 40(3), 333, 2015 |
| 10 |
Ab Initio Study of H-2 Nuclear Quadrupole Coupling Constants in Deuterated Crystalline Oxalic Acid Dehydrated Polymorphs
Samaniego C, Rodriguez-Zavala JG, Tenorio FJ, Flores-Moreno R
Molecular Crystals and Liquid Crystals, 575(1), 188, 2013 |
