Intra- and intermolecular hydrogen bonding and conformation in 1-acyl thioureas: An experimental and theoretical approach on 1-(2-chlorobenzoyl)thiourea von Saeed, Aamer, Khurshid, Asma, Bolte, Michael, Fantoni, Adolfo C., Erben, Mauricio F.

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Understanding the conformational changes and molecular structure of furoyl thioureas upon substitution von Cairo, Raúl Ramos, Stevens, Ana María Plutín, de Oliveira, Tamires Donizeth, Batista, Alzir A., Castellano, Eduardo E., Duque, Julio, Soria, Delia B., Fantoni, Adolfo C., Corrêa, Rodrigo S., Erben, Mauricio F.

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On the roles of close shell interactions in the structure of acyl-substituted hydrazones: An experimental and theoretical approach von Saeed, Aamer, Ifzan Arshad, M., Bolte, Michael, Fantoni, Adolfo C., Delgado Espinoza, Zuly Y., Erben, Mauricio F.

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Polymorphism of a widely used building block for halogen‐bonded assemblies: 1,3,5‐trifluoro‐2,4,6‐triiodobenzene von Raffo, Pablo A., Suárez, Sebastián, Fantoni, Adolfo C., Baggio, Ricardo, Cukiernik, Fabio D.

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A combined crystallographic, thermal, Raman and computational study on polymorphism and phase transition in 1‐(4‐hexyloxy‐3‐hydroxyphenyl)ethanone von Suárez, Sebastián, Manzano, Veronica E., Fantoni, Adolfo C., Halac, Emilia, Baggio, Ricardo, Cukiernik, Fabio D.

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Role of weak C—H…O and strong N—H…O intermolecular interactions on the high‐symmetry molecular packing of trans‐cyclohexane‐1,4‐dicarboxamide von García-Reyes, Fernando, Fantoni, Adolfo C., Barón, Máximo, Romano, Rosana M., Punte, Graciela M., Echeverría, Gustavo A.

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Matrix-isolation FTIR study of carbon dioxide: Reinvestigation of the CO2 dimer and CO2⋯N2 complex von Gómez Castaño, Jovanny A., Fantoni, Adolfo, Romano, Rosana M.

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Role of weak C-H...O and strong N-H...O intermolecular interactions on the high-symmetry molecular packing of trans-cyclohexane-1,4-dicarboxamide von García-Reyes, Fernando, Fantoni, Adolfo C, Barón, Máximo, Romano, Rosana M, Punte, Graciela M, Echeverría, Gustavo A

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On the Electron Density Topology and Electrostatic Properties of Nitroanilines. A Theoretical Investigation on m-Nitroaniline and 2-Methyl-5-nitroaniline Crystals von Fantoni, Adolfo C, Pozzi, C. Gustavo, Punte, Graciela

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Conformational preference of chlorothioformate species: molecular structure of ethyl chlorothioformate, ClC(O)SCH2CH3, in the solid phase and NBO analysis von Rodríguez Pirani, Lucas, Erben, Mauricio F., Boese, Roland, Pozzi, C. Gustavo, Fantoni, Adolfo C., Della Védova, Carlos O.

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Competing intramolecular NH⋯OC hydrogen bonds and extended intermolecular network in 1-(4-chlorobenzoyl)-3-(2-methyl-4-oxopentan-2-yl) thiourea analyzed by experimental and theoret... von Saeed, Aamer, Khurshid, Asma, Jasinski, Jerry P., Pozzi, C. Gustavo, Fantoni, Adolfo C., Erben, Mauricio F.

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Close insight into the nature of intermolecular interactions in dihydropyrimidine-2(1H)-thione derivatives von Saeed, Aamer, Flörke, Ulrich, Fantoni, Adolfo, Khurshid, Asma, Pérez, Hiram, Erben, Mauricio F.

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The very low methyl group V3 barrier of cis N-methylformamide: A–E doubling from the free jet rotational spectrum von Fantoni, Adolfo C, Caminati, Walther, Hartwig, Holger, Stahl, Wolfgang

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Non-Bonded Intermolecular Interactions and Crystal Stability of trans-1,4-Cyclohexanedicarboxylic Acid, 1,4-dibromo von Echeverría, Gustavo, Fantoni, Adolfo, Marañón, Julio, Punte, Graciela

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Competing intramolecular NHOC hydrogen bonds and extended intermolecular network in 1-(4-chlorobenzoyl)-3-(2-methyl-4-oxopentan-2-yl) thiourea analyzed by experimental and theoreti... von Saeed, Aamer, Khurshid, Asma, Jasinski, Jerry P., Pozzi, C. Gustavo, Fantoni, Adolfo C., Erben, Mauricio F.

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On the use of crystal vibrational modes in the estimation of the anisotropic displacement parameters of hydrogen atoms in molecular crystals: para-Nitroaniline as a test case von Pozzi, C. Gustavo, Fantoni, Adolfo C., Goeta, Andrés E., de Matos Gomes, Etelvina, McIntyre, Garry J., Punte, Graciela

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Close insight into the nature of intermolecular interactions in dihydropyrimidine-2(1H)-thione derivativesElectronic supplementary information (ESI) available: Ring puckering param... von Saeed, Aamer, Flörke, Ulrich, Fantoni, Adolfo, Khurshid, Asma, Pérez, Hiram, Erben, Mauricio F

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Electronic Properties and Dissociative Photoionization of Thiocyanates. Part II. Valence and Shallow-Core (Sulfur and Chlorine 2p) Regions of Chloromethyl Thiocyanate, CH 2 ClSCN von Rodríguez Pirani, Lucas S., Geronés, Mariana, Della Védova, Carlos O., Romano, Rosana M., Fantoni, Adolfo, Cavasso-Filho, Reinaldo, Ma, Chunping, Ge, Maofa, Erben, Mauricio F.

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Electronic Properties and Dissociative Photoionization of Thiocyanates. Part II. Valence and Shallow-Core (Sulfur and Chlorine 2p) Regions of Chloromethyl Thiocyanate, CH sub(2)ClS... von Pirani, Lucas SRodriguez, Gerones, Mariana, Vedova, Carlos ODella, Romano, Rosana M, Fantoni, Adolfo, Cavasso-Filho, Reinaldo, Ma, Chunping, Ge, Maofa, Erben, Mauricio F

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Electronic Properties and Dissociative Photoionization of Thiocyanates. Part II. Valence and Shallow-Core (Sulfur and Chlorine 2p) Regions of Chloromethyl Thiocyanate, CH2ClSCN von Rodríguez Pirani, Lucas S, Geronés, Mariana, Della Védova, Carlos O, Romano, Rosana M, Fantoni, Adolfo, Cavasso-Filho, Reinaldo, Ma, Chunping, Ge, Maofa, Erben, Mauricio F

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