The Relevance of Experimental Charge Density Analysis in Unraveling Noncovalent Interactions in Molecular Crystals.

Thomas, Sajesh P; Dikundwar, Amol G; Sarkar, Sounak; Pavan, Mysore S; Pal, Rumpa; Hathwar, Venkatesha R; Row, Tayur N Guru

Thomas, Sajesh P; Dikundwar, Amol G; Sarkar, Sounak; Pavan, Mysore S; Pal, Rumpa; Hathwar, Venkatesha R; Row, Tayur N Guru.

Afiliação

Thomas SP; Department of Chemistry, Indian Institute of Technology Delhi, New Delhi 110016, India.
Dikundwar AG; Department of Pharmaceutical Analysis, National Institute of Pharmaceutical Education and Research (NIPER) Hyderabad, Hyderabad 500037, India.
Sarkar S; Department of Chemistry, Aarhus University, Langelandsgade 140, 8000 Aarhus, Denmark.
Pavan MS; Analytical Research and Development, Biocon Bristol Myers Squibb Research and Development Center, Syngene International Limited, Bangalore 560099, India.
Pal R; Faculty of Pure and Applied Sciences, University of Tsukuba, Tsukuba 305-8571, Japan.
Hathwar VR; School of Physical and Applied Sciences, Goa University, Panaji 403206, India.
Row TNG; Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560012, India.

Molecules ; 27(12)2022 Jun 08.

Article em En | MEDLINE | ID: mdl-35744821

Assuntos

Calcogênios; Halogênios; Carbono; Halogênios/química; Teoria Quântica; Eletricidade Estática

Palavras-chave

crystal; electron density; multipole modelling; non-covalent interactions; qtaim

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Calcogênios / Halogênios Idioma: En Revista: Molecules Assunto da revista: BIOLOGIA Ano de publicação: 2022 Tipo de documento: Article País de afiliação: Índia País de publicação: Suíça

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