Results 181 to 190 of about 1,209,817 (305)

A Hirshfeld Surface Analysis and Crystal Structure of 2’-[1-(2-Fluoro-Phenyl)-1H-tetrazol-5-Yl]-4-Methoxy-Biphenyl-2-Carbaldehyde

, 2013
S. Madan Kumar, B. C. Manjunath, Gejjalagere S. Lingaraju, Muneer Abdoh, Maralinganadoddi P. Sadashiva, N.K. Lokanath   +5 more
openalex   +2 more sources

Bis{4-methylbenzyl 2-[4-(propan-2-yl)benzylidene]hydrazinecarbodithioato-κ²N²,S}nickel(II): crystal structure and Hirshfeld surface analysis [PDF]

, 2017
Enis Nadia Md Yusof, T.B.S.A. Ravoof, Mohamed Ibrahim Mohamed Tahir, Mukesh M. Jotani, Edward R. T. Tiekink   +4 more
openalex   +1 more source

Coexistence of two halide hydrate clusters in a crystal of 1,1′-(benzene-1,3-diyldimethanediyl)-bis(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane) dibromide trihydrate. X-ray structure, Hirshfeld surface and thermal analysis

, 2023
Augusto Rivera, John Sadat-Bernal, Jaime Ríos-Motta, Héctor Jairo Osorio, Michael Bolte   +4 more
openalex   +1 more source

Hirshfeld Surface Analysis for Investigation of Intermolecular Interaction of Molecular Crystals

International Journal of Organic Chemistry, 2023
Shintaro Suda, A. Tateno, Daisuke Nakane, T. Akitsu   +3 more
semanticscholar   +1 more source

Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 2-(2,3-dihydro-1H-perimidin-2-yl)-6-methoxyphenol [PDF]

, 2020
Ballo Daouda, Nanou Tiéba Tuo, Tuncer Hökelek, Kangah Niameke Jean-Baptiste, Kodjo Charles Guillaume, Kablan Ahmont Landry Claude, El Mokhtar Essassi   +6 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, Hirshfeld surface analysis and computational study of 2-chloro-N-[4-(methylsulfanyl)phenyl]acetamide [PDF]

, 2020
Sitthichok Mongkholkeaw, Apisit Songsasen, Tanwawan Duangthongyou, Kittipong Chainok, Songwut Suramitr, Worawat Wattanathana, Boontana Wannalerse   +6 more
openalex   +1 more source

Antidiabetes and antioxidant potential of Schiff bases derived from 2-naphthaldehye and substituted aromatic amines: Synthesis, crystal structure, Hirshfeld surface analysis, computational, and invitro studies

Heliyon, 2023
S. Oladipo, R. Luckay, K. Olofinsan, Vicent A. Obakachi, Sizwe J. Zamisa, Adesola A. Adeleke, A. A. Badeji, S. Ogundare, B. George   +8 more
semanticscholar   +1 more source

Crystal structure and Hirshfeld surface analysis of anhydrous salt of levofloxacin and 4-methyl-benzoic acid. [PDF]

Acta Crystallogr E Crystallogr Commun
Patel BC, Modi KM, Reddy JP.
europepmc   +1 more source

Crystal structure and Hirshfeld surface analysis of tris(2,2′-bipyridine)nickel(II) bis(1,1,3,3-tetracyano-2-ethoxypropenide) dihydrate [PDF]

, 2019
Ignacio Chi-Durán, Zouaoui Setifi, Fatima Setifi, Christian Jelsch, Bernd Morgenstern, Andrés Vega, Felipe Herrera, Dinesh Pratap Singh, Κ. Hegetschweiler, Rabab Boyaala   +9 more
openalex   +1 more source