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1.

Stability of cellulose in water cluster-insight from density functional theory and infrared spectroscopy
Veerapandian Ponnuchamy, Anna Malgorzata Sandak, Jakub Michal Sandak, 2021, published scientific conference contribution abstract

Keywords: cellulose, moisture, density functional theory, near infrared (NIR), hydrogen bonding, functional magnetic resonance imaging (fMRI)
Published in RUP: 06.05.2021; Views: 3018; Downloads: 11
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2.

Fractionation of lignin using organic solvents : a combined experimental and theoretical study
Veerapandian Ponnuchamy, Oihana Gordobil, Rene Alexander Herrera Diaz, Anna Malgorzata Sandak, Jakub Michal Sandak, 2020, original scientific article

Keywords: hardwood kraft lignin, fractionation, chemometrics, density functional theory, hydrogen bonds, noncovalent interactions
Published in RUP: 02.12.2020; Views: 3692; Downloads: 37
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3.

Cyclic carbon polyynes
Lorentz Jäntschi, Sorana D. Bolboacǎ, Dušanka Janežič, 2016, independent scientific component part or a chapter in a monograph

Keywords: cyclic polyynes, theoretical IR spectrum, density functional theory calculation
Published in RUP: 18.03.2020; Views: 4962; Downloads: 61
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