Results 111 to 120 of about 11,262 (189)

Synthesis, crystal structure and Hirshfeld surface analysis of 2,2-di-chloro-3,3-dieth-oxy-1-(4-fluoro-phen-yl)propan-1-ol. [PDF]

Acta Crystallogr E Crystallogr Commun
Guseynova SN, Samigullina AI, Demir CB, Dege N, Sepay N, Zangrando E, Hasanov KI, Belay AN.   +7 more
europepmc   +1 more source

Synthesis, Structural Characterization, Hirshfeld Surface Analysis, and Evaluation of Nonlinear Optical Properties of Novel Cocrystal of Acridine with 2,4-Dihydroxybenzaldehyde. [PDF]

Materials (Basel)
Nowak P, Sikorski A.
europepmc   +1 more source

Crystal structure and Hirshfeld surface analysis of bis-(benzoyl-acetonato)(ethanol)dioxidouranium(VI). [PDF]

Acta Crystallogr E Crystallogr Commun
Jabborova X, Tursinboyeva X, Ruzieva B, Turgunov K, Ashurov J, Tojiboev A, Daminova S.   +6 more
europepmc   +1 more source

QuickFF: a program for a quick and easy derivation of force fields for metal-organic frameworks from ab initio input [PDF]

, 2015
Addicoat, Allinger, Allinger, Amirjalayer, Arstad, Barone, Bayly, Becke, Becke, Bolton, Bristow, Bultinck, Bureekaew, Burger, Burger, Cacelli, Charifson, Colon, Cornell, Coudert, Cramer, Düren, Frisch, Frisch, Garberoglio, Ghysels, Ghysels, Grimme, Grimme, Hirshfeld, Huang, Jorgensen, Jorgensen, Karra, Kollman, Kraft, Krishnan, Kuang, Leach, Lee, Li, Liu, Liu, Llewellyn, Llewellyn, Loiseau, MacKerell, MacKerell, MacKerell, Maple, Mayne, Mayo, McLean, O'Boyle, Pera-Titus, Piccini, Ramsahye, Rappé, Salles, Salles, Salles, Somers, Sousa, Stavitski, Tafipolsky, Vanduyfhuys, Vanommeslaeghe, Verstraelen, Walker, Wang, Wehring, Weiner, Weiner, Wilmer, Yang, Yot, Zhao, Zhao, Zygmunt   +78 more
core   +2 more sources

Crystal structure, Hirshfeld surface analysis and crystal voids of 4-nitro-benzo[c][1,2,5]selena-diazole. [PDF]

Acta Crystallogr E Crystallogr Commun
Gurbanov AV, Hökelek T, Mammadova GZ, Hasanov KI, Javadzade TA, Belay AN.   +5 more
europepmc   +1 more source

Quantum Chemical Calculations, Topological Properties, ADME/Molecular Docking Studies, and Hirshfeld Surface Analysis on Some Organic UV-Filters. [PDF]

ACS Omega
Akman F, Kutlu B.
europepmc   +1 more source

Synthesis, crystal structure and Hirshfeld surface analysis of N-(4-meth-oxy-phen-yl)picolinamide. [PDF]

Acta Crystallogr E Crystallogr Commun
Burieva D, Torambetov B, Bobonazarova S, Abdushukurov A, Kholikov T, Khan AA, Ashurov J, Yusufov M.   +7 more
europepmc   +1 more source

Synthesis, crystal structure and Hirshfeld surface analysis of 5,5-diphenyl-3-(prop-2-yn-1-yl)imidazolidine-2,4-dione. [PDF]

Acta Crystallogr E Crystallogr Commun
El Moutaouakil Ala Allah A, Massera C, Guerrab W, Alsubari A, Mague JT, Ramli Y.   +5 more
europepmc   +1 more source

Crystal structure and Hirshfeld surface analysis of the organic-inorganic hybrid compound tris-(2-iodo-ethyl-ammonium) hexa-iodido-bis-muthate(III). [PDF]

Acta Crystallogr E Crystallogr Commun
Kucheriv OI, Ovdenko VM, Kuzevanova IS, Golenya IA, Gural'skiy IA.   +4 more
europepmc   +1 more source

Applications of Hirshfeld surface analysis in crystal engineering and drug design [PDF]

Acta Crystallographica Section A Foundations and Advances, 2015
openaire   +2 more sources