Results 161 to 170 of about 6,693,171 (268)

Crystal structure and Hirshfeld surface analysis of (E)-N′-benzylidene-4-chlorobenzenesulfonohydrazide and of its (E)-4-chloro-N′-(ortho- and para-methylbenzylidene)benzenesulfonohydrazide derivatives [PDF]

, 2018
A.R. Salian, S. Foro, B. Thimme Gowda
openalex   +1 more source

Crystal structures and the Hirshfeld surface analysis of (E)-4-nitro-N′-(o-chloro, o- and p-methylbenzylidene)benzenesulfonohydrazides [PDF]

, 2018
A.R. Salian, Sabine Foro, B.T. Gowda
openalex   +1 more source

Synthesis, spectroscopic studies, X-ray crystal structure and Hirshfeld surface analysis of unprecedented symmetrical trans-alpha,alpha '-bis(diphenylphosphoryl)cycloalkanol derivatives

, 2019
Jebli, Nejib, Stevens, Christian, Touil, Soufiane, Van Hecke, Kristof   +3 more
core   +1 more source

Crystal structure and Hirshfeld surface analysis of 1,2-bis(2′,6′-diisopropoxy-[2,3′-bipyridin]-6-yl)benzene [PDF]

, 2018
Ki‐Min Park, Suk-Hee Moon, Youngjin Kang   +2 more
openalex   +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 and Hirshfeld surface analysis of two (E)-N′-(para-substituted benzylidene) 4-chlorobenzenesulfonohydrazides [PDF]

, 2018
A.R. Salian, Sabine Foro, B.T. Gowda
openalex   +1 more source

Structural, Hirshfeld surface and spectroscopic studies of the noncentrosymmetric 1-ethylpiperazinediium pentachloroantimonate (III) monohydrate

, 2016
Sarra Soudani, Mat­thias Zeller, Christian Jelsch, F. Lefebvre, Chérif Ben Nasr   +4 more
openalex   +2 more sources

Crystal structure, Hirshfeld surface analysis and HOMO–LUMO analysis of (E)-4-bromo-N′-(4-methoxybenzylidene)benzohydrazide [PDF]

, 2018
Kasthuri Balasubramani, G. Premkumar, Palaniyappan Sivajeyanthi, M. Jeevaraj, Bellarmin Edison, Toka Swu   +5 more
openalex   +1 more source

Crystal structure and Hirshfeld surface analysis of ketorolac tromethamine. [PDF]

Acta Crystallogr E Crystallogr Commun
Shaposhnyk AM, Rudiuk VV, Baumer VN.
europepmc   +1 more source

A Combined Experimental and Theoretical Investigation on Organic Cation Dichlorocopper (II): Structural Characterization, Hirshfeld Surface Analysis, Spectroscopic Properties and DFT Calculation

, 2016
Najet Salah, A. Samet
openalex   +1 more source