Results 131 to 140 of about 19,109 (207)

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

Structural, Hirshfeld surface and three-dimensional interaction energy studies of 2-(6-iodo-4-oxo-3,4-dihydroquinazolin-3-yl)ethanesulfonyl fluoride [PDF]

, 2023
D.P. Ganesha, N.R. Sreenatha, S.R. Shankara, B.N. Lakshminarayana   +3 more
openalex   +1 more source

Crystal structure and Hirshfeld surface analysis of 2-amino-6-[(1-phenylethyl)amino]-4-(thiophen-2-yl)pyridine-3,5-dicarbonitrile [PDF]

, 2023
Farid N. Naghiyev, Victor N. Khrustalev, Kh. A. Asadov, Mehmet Akkurt, Ali N. Khalilov, Ajaya Bhattarai, I. G. Mamedov   +6 more
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, 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

Physics, chemistry, and Hirshfeld surface analyses of gamma-irradiated thalidomide to evaluate behavior under sterilization doses

, 2018
Valner A.F.S.N. Mussel, Max Passos Ferreira, Maria Betânia F. Marques, María Irene Yoshida, Mariana Ramos Almeida, Bernardo L. Rodrigues, Wagner da Nova Mussel   +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

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
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

Crystal structure and Hirshfeld surface analysis of supramolecular aggregate of 2,2,6,6-tetramethylpiperidin-1-ium bromide with 1,2,3,4-tetrafluoro-5,6-diiodobenzene [PDF]

Atash V. Gurbanov, Tuncer Hökelek, Gunay Z. Mammadova, Khudayar I. Hasanov, Tahir A. Javadzade, Alebel N. Belay   +5 more
openalex   +1 more source