Search Results

Grid-based state space exploration for molecular binding.

• Authors : Zupan, Hana; Heinz, Frederick; Keller, Bettina G.

Subjects: SPACE exploration; MOLECULAR structure; QUANTUM chemistry

• Source: Canadian Journal of Chemistry. Sep2023, Vol. 101 Issue 9, p710-724. 15p.

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Extended energy and its dependence on molecular structure.

• Authors : Gutman, Ivan¹; Furtula, Boris¹; Das, Kinkar Ch.²

Subjects: *MOLECULAR structure; *MOLECULAR graph theory; *GRAPH theory

• Source: Canadian Journal of Chemistry. 2017, Vol. 95 Issue 5, p526-529. 4p. 3 Graphs.

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Hydrosilyation of CO2 using a silatrane hydride: structural characterization of a silyl formate compound.

• Authors : Ruccolo, Serge; Amemiya, Erika; Shlian, Daniel G.

Subjects: HYDRIDES; MOLECULAR structure; DENSITY functional theory

• Source: Canadian Journal of Chemistry. 2021, Vol. 99 Issue 2, p259-267. 9p.

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Late metal salicylaldimine complexes derived from 5-aminosalicylic acid — Molecular structure of a zwitterionic mono Schiff base zinc complex.

• Authors : Bourque, Tara A.; Nelles, Megan E.; Gullon, Teri J.

Subjects: METAL complexes; MOLECULAR structure; POLYZWITTERIONS

• Source: Canadian Journal of Chemistry. Aug2005, Vol. 83 Issue 8, p1063-1070. 8p. 6 Diagrams, 4 Charts.

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Intercalated 2D+2D hydrogen-bonded sheets in co-crystals of cobalt salt with 1H,1′H-[3,3′]bipyridinyl-6,6′-dione.

• Authors : Mohan, Midhun; Rana, Love Karan; Maris, Thierry

Subjects: COBALT; MOLECULAR structure; SALT

• Source: Canadian Journal of Chemistry. 2020, Vol. 98 Issue 7, p347-351. 5p.

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Molecular structure and melting: implications for phase change materials.

• Authors : Noel, John A.; Kahwaji, Samer; White, Mary Anne

• Source: Canadian Journal of Chemistry. July, 2018, Vol. 96 Issue 7, p422, 8 p.

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An investigation of hybridization and the orbital models of molecular electronic structure for CH4, NH3, and H2O.

• Authors : Brion, C.E.; Wolfe, Saul; Shi, Zheng

Subjects: MOLECULAR orbitals; MOLECULAR structure; ELECTRONIC structure

• Source: Canadian Journal of Chemistry. 2017, Vol. 95 Issue 12, p1314-1322. 9p.

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On the irregularity of some molecular structures.

• Authors : Abdo, Hosam; Dimitrov, Darko; Gao, Wei

Subjects: MOLECULAR structure; MOLECULAR graphs; CHEMICAL reactions

• Source: Canadian Journal of Chemistry. 2017, Vol. 95 Issue 2, p174-183. 10p.

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Conformational stability, barriers to internal rotations, and normal coordinate analysis of acetone and its 2H-isotopomers.

• Authors : Gholamhoseinpour, Mahboobeh; Tayyari, Sayyed Faramarz; Emamian, Saeedreza

Subjects: MOLECULAR structure; DENSITY functional theory; MOLECULAR dynamics

• Source: Canadian Journal of Chemistry. 2016, Vol. 94 Issue 10, p818-826. 9p.

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Unactivated Pd-catalyzed oxidative cross-coupling reactions of arenes with benzene: a theoretical and experimental study.

• Authors : Higginson, Niall; Campbell, Karen; Quance, Melissa

Subjects: COUPLING reactions (Chemistry); GIBBS' energy diagram; MOLECULAR structure

• Source: Canadian Journal of Chemistry; 2024, Vol. 102 Issue 12, p899-921, 23p

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