H
Henrik G. Kjaergaard
Researcher at University of Copenhagen
Publications - 242
Citations - 15105
Henrik G. Kjaergaard is an academic researcher from University of Copenhagen. The author has contributed to research in topics: Overtone & Ab initio. The author has an hindex of 54, co-authored 234 publications receiving 12993 citations. Previous affiliations of Henrik G. Kjaergaard include University College West & University of Guelph.
Papers
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Journal ArticleDOI
Definition of the hydrogen bond (IUPAC Recommendations 2011)
Elangannan Arunan,Gautam R. Desiraju,Roger A. Klein,Joanna Sadlej,Steve Scheiner,Ibon Alkorta,David C. Clary,Robert H. Crabtree,J. J. Dannenberg,Pavel Hobza,Henrik G. Kjaergaard,Anthony C. Legon,Benedetta Mennucci,David J. Nesbitt +13 more
TL;DR: In this paper, a novel definition for the hydrogen bond is proposed, which takes into account the theoretical and experimental knowledge acquired over the past century, and six criteria are listed that could be used as evidence for the presence of a hydrogen bond.
Journal ArticleDOI
A large source of low-volatility secondary organic aerosol
Mikael Ehn,Joel A. Thornton,Einhard Kleist,Mikko Sipilä,Heikki Junninen,Iida Pullinen,Monika Springer,Florian Rubach,Ralf Tillmann,Ben H. Lee,Felipe D. Lopez-Hilfiker,S. Andres,Ismail-Hakki Acir,Matti P. Rissanen,Tuija Jokinen,Siegfried Schobesberger,Juha Kangasluoma,Jenni Kontkanen,Tuomo Nieminen,Theo Kurtén,Lasse B. Nielsen,Solvejg Jørgensen,Henrik G. Kjaergaard,Manjula R. Canagaratna,Miikka Dal Maso,Torsten Berndt,Tuukka Petäjä,Andreas Wahner,Veli-Matti Kerminen,Markku Kulmala,Douglas R. Worsnop,Juergen Wildt,Thomas F. Mentel +32 more
TL;DR: It is found that a direct pathway leads from several biogenic VOCs, such as monoterpenes, to the formation of large amounts of extremely low-volatility vapours, helping to explain the discrepancy between the observed atmospheric burden of secondary organic aerosol and that reported by many model studies.
Journal ArticleDOI
Defining the hydrogen bond: An account (IUPAC Technical Report)
Elangannan Arunan,Gautam R. Desiraju,Roger A. Klein,Joanna Sadlej,Steve Scheiner,Ibon Alkorta,David C. Clary,Robert H. Crabtree,J. J. Dannenberg,Pavel Hobza,Henrik G. Kjaergaard,Anthony C. Legon,Benedetta Mennucci,David J. Nesbitt +13 more
TL;DR: In this paper, a new definition of the hydrogen bond is proposed, which emphasizes the need for evidence, and a list of criteria has been provided, and these can be used as evidence for hydrogen bond formation.
Journal ArticleDOI
Unexpected epoxide formation in the gas-phase photooxidation of isoprene.
Fabien Paulot,John D. Crounse,Henrik G. Kjaergaard,Henrik G. Kjaergaard,Andreas Kürten,Jason M. St. Clair,John H. Seinfeld,Paul O. Wennberg +7 more
TL;DR: It is reported here that under pristine conditions isoprene is oxidized primarily to hydroxyhydroperoxides, which leads efficiently to the formation of dihydroxyepoxides and OH reformation, which provides a missing link tying the gas-phase degradation of isoprenes to the observed formation of organic aerosols.
Journal ArticleDOI
Autoxidation of Organic Compounds in the Atmosphere
TL;DR: In this paper, it was shown that the rate of abstraction of hydrogen by peroxy radicals is largely determined by the thermochemistry of the nascent alkyl radicals and thus is highly influenced by neighboring substituents.