Results 141 to 150 of about 18,738 (216)

A redetermination of the structure and Hirshfeld surface analysis of poly[diaquadi-μ-hydroxido-tetrakis(μ-nicotinato N-oxide)tricopper(II)] [PDF]

, 2021
Masoud Mirzaei, Maryam Bazargan, Pouria Ebtehaj, Joel T. Mague   +3 more
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Crystal Structure, Spectral Studies, and Hirshfeld Surfaces Analysis of 5-Methyl-5H-dibenzo[b,f]azepine and 5-(4-Methylbenzyl)-5H-dibenzo[b,f]azepine [PDF]

, 2014
S. Madan Kumar, Basavapattana C. Manjunath, Koravangala S. Vinay Kumar, K.J. Pampa, Maralinganadoddi P. Sadashiva, Neartur Krishnappagowda Lokanath   +5 more
openalex   +1 more source

Crystal structure and Hirshfeld surface analysis of dichlorido{2,2′-[oxybis(methylidene)]dipyridine}mercury(II) [PDF]

, 2022
Jesse J. Derringer, Deborah C. Bebout
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

2-({[(Pyridin-1-ium-2-ylmethyl)carbamoyl]formamido}methyl)pyridin-1-ium bis(3,5-dicarboxybenzoate): crystal structure and Hirshfeld surface analysis [PDF]

, 2016
Mukesh M. Jotani, Sabrina Syed, Siti Nadiah Abdul Halim, Edward R. T. Tiekink   +3 more
openalex   +1 more source

Hirshfeld Surface Analyses, NCI-RDG and Effect of Surfactant on the Size of CO3O4 Nanostructures Obtained from Cobalt(II) Nano-Complex

, 2023
Reza Ahmadzadeh Farrokhi, Gholam Hossein Shahverdizadeh   +1 more
openalex   +1 more source

2,2′:4,4′′:4′,4′′′-Quaterpyridine: synthesis, crystal-structure description, and Hirshfeld surface analysis [PDF]

, 2023
Stephen Opeyemi Aderinto, Jim A. Thomas, Craig C. Robertson   +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

Utilizing Hirshfeld surface calculations, non-covalent interaction (NCI) plots and the calculation of interaction energies in the analysis of molecular packing [PDF]

, 2019
Sang Loon Tan, Mukesh M. Jotani, Edward R. T. Tiekink   +2 more
openalex   +1 more source

Pentacoordinated isothiocyanate iron(III) complexes supported by asymmetric tetradentate donor and acceptor Schiff base ligands: Spectral, Structural and Hirshfeld Surface Analyses

, 2021
Jonathan Cisterna, Vania Artigas, Mauricio Fuentealba, Carolina Manzur, Jean‐René Hamon, David Carrillo   +5 more
openalex   +2 more sources