H. Kjaergaard

发表

Photolysis of Sulfuric Acid Vapor by Visible Solar Radiation

V. Vaida, H. Kjaergaard, P. Hintze, 2003, Science.

Nitrate radical addition-elimination reactions of atmospherically relevant sulfur-containing molecules.

H. Kjaergaard, T. Kurtén, Joseph R. Lane, 2010, Physical chemistry chemical physics : PCCP.

The OH-stretching and OOH-bending overtone spectrum of HOONO.

H. Kjaergaard, Daniel P Schofield, Jamie Matthews, 2005, The Journal of chemical physics.

Widening of the hydrogen bonded OH-streching bands due to the wagging and OO-stretching modes in H2O·H2O

H. Kjaergaard, L. Halonen, A. Garden, 2011 .

Internal Methyl Rotation in the CH Stretching Overtone Spectra of ortho-, meta-, and para-Xylene

H. Kjaergaard, Zimei Rong and, 2002 .

Effect of the Methyl Internal Rotation Barrier Height on CH−Stretching Overtone Spectra

D. Howard, H. Kjaergaard, Z. Rong, 2003 .

Effect of OH internal torsion on the OH-stretching spectrum of cis,cis-HOONO.

H. Kjaergaard, Daniel P Schofield, 2005, The journal of physical chemistry. A.

Defining the hydrogen bond: An account (IUPAC Technical Report)

David J. Nesbitt, Pavel Hobza, Gautam R. Desiraju, 2011 .

High level ab initio studies of the low-lying excited states in the H2O⋅O2 complex

H. Kjaergaard, T. W. Robinson, T. Robinson, 2003 .

Photoabsorption cross‐section measurements of 32S, 33S, 34S, and 36S sulfur dioxide from 190 to 220 nm

H. Kjaergaard, N. Yoshida, M. Johnson, 2015 .

Oxidation kinetics of n-pentanol: A theoretical study of the reactivity of the 1‑hydroxy‑1-peroxypentyl radical

S. M. Sarathy, H. Kjaergaard, Dong Han, 2020, Combustion and Flame.

Kinetic Energy Density as a Predictor of Hydrogen-Bonded OH-Stretching Frequencies.

H. Kjaergaard, Joseph R. Lane, A. S. Hansen, 2017, The journal of physical chemistry. A.

Dimethyl Sulfoxide Complexes Detected at Ambient Conditions.

H. Kjaergaard, A. S. Hansen, 2017, The journal of physical chemistry. A.

Intramolecular Hydrogen Bonding in Methyl Lactate.

V. Vaida, H. Kjaergaard, J. Kroll, 2015, The journal of physical chemistry. A.

H. Kjaergaard, Cecilie L Andersen, S. Jørgensen, 2014, The journal of physical chemistry. A.

Intramolecular interactions in 2-aminoethanol and 3-aminopropanol.

V. Vaida, H. Kjaergaard, Joseph R. Lane, 2013, The journal of physical chemistry. A.

Identification of the dimethylamine-trimethylamine complex in the gas phase.

H. Kjaergaard, Joseph R. Lane, Lin Du, 2012, The Journal of chemical physics.

A computational study of the oxidation of SO2 to SO3 by gas-phase organic oxidants.

H. Kjaergaard, T. Kurtén, Joseph R. Lane, 2011, The journal of physical chemistry. A.

Explicitly correlated intermolecular distances and interaction energies of hydrogen bonded complexes.

H. Kjaergaard, Joseph R. Lane, 2009, The Journal of chemical physics.

Calculated Hydrogen Shift Rate Constants in Substituted Alkyl Peroxy Radicals.

H. Kjaergaard, Rasmus V. Otkjær, H. H. Jakobsen, 2018, The journal of physical chemistry. A.

Atmospheric autoxidation is increasingly important in urban and suburban North America

H. Kjaergaard, J. Crounse, P. Wennberg, 2017, Proceedings of the National Academy of Sciences.

Cost-Effective Implementation of Multiconformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions.

H. Kjaergaard, T. Kurtén, Kristian H. Møller, 2016, The journal of physical chemistry. A.

Ultraviolet absorption cross sections of carbonyl sulfide isotopologues OC 32 S, OC 33 S, OC 34 S and O 13 CS: isotopic fractionation in photolysis and atmospheric implications

H. Kjaergaard, N. Yoshida, M. Johnson, 2011 .

Infrared spectroscopic probing of dimethylamine clusters in an Ar matrix.

H. Kjaergaard, Lin Du, Siyang Li, 2016, Journal of environmental sciences.

Electronic structure and near-IR transitions of FcC2R and FcC4R dyads

C. J. McAdam, H. Kjaergaard, A. Flood, 2007 .

Fourier transform infrared spectroscopy and theoretical study of dimethylamine dimer in the gas phase.

H. Kjaergaard, Lin Du, 2011, The journal of physical chemistry. A.

Absolute intensities of NH-stretching transitions in dimethylamine and pyrrole.

B. J. Miller, H. Kjaergaard, Joseph R. Lane, 2012, The journal of physical chemistry. A.

Hydrogen-bonded rotamers of 2′,4′,6′-trihydroxy-3′-formyldihydrochalcone, an intermediate in the synthesis of a dihydrochalcone from Leptospermum recurvum

H. Kjaergaard, R. T. Weavers, N. B. Perry, 2003 .

Effects of chemical complexity on the autoxidation mechanisms of endocyclic alkene ozonolysis products: from methylcyclohexenes toward understanding α-pinene.

H. Kjaergaard, T. Petäjä, J. Thornton, 2015, The journal of physical chemistry. A.

The formation of highly oxidized multifunctional products in the ozonolysis of cyclohexene.

H. Kjaergaard, T. Petäjä, J. Thornton, 2014, Journal of the American Chemical Society.

Accurate thermodynamic properties of gas phase hydrogen bonded complexes.

H. Kjaergaard, A. S. Hansen, Kasper Mackeprang, 2016, Physical chemistry chemical physics : PCCP.

Identification and characterization of the HCl-DMS gas phase molecular complex via infrared spectroscopy and electronic structure calculations.

H. Kjaergaard, N. Bork, Lin Du, 2014, The journal of physical chemistry. A.

Unimolecular Reactions of Peroxy Radicals Formed in the Oxidation of α-Pinene and β-Pinene by Hydroxyl Radicals.

H. Kjaergaard, J. Crounse, P. Wennberg, 2019, The journal of physical chemistry. A.

Spectroscopy and dynamics of double proton transfer in formic acid dimer.

H. Kjaergaard, M. Meuwly, Zhen-Hao Xu, 2016, Physical chemistry chemical physics : PCCP.

Hydrotrioxide (ROOOH) formation in the atmosphere

H. Kjaergaard, J. Crounse, P. Wennberg, 2022, Science.

Computational Study of Hydrogen Shifts and Ring-Opening Mechanisms in α-Pinene Ozonolysis Products.

H. Kjaergaard, J. Thornton, M. Rissanen, 2015, The journal of physical chemistry. A.

Autoxidation of Organic Compounds in the Atmosphere

H. Kjaergaard, J. Crounse, P. Wennberg, 2013 .

Pathways to Highly Oxidized Products in the Δ3-Carene + OH System

H. Kjaergaard, J. Thornton, A. Zelenyuk, 2022, Environmental science & technology.

Unimolecular HO2 Loss from Peroxy Radicals Formed in Autoxidation Is Unlikely under Atmospheric Conditions.

H. Kjaergaard, M. Rissanen, T. Kurtén, 2016, The journal of physical chemistry. A.

Co(III) complexes of the type [(L)Co(O2CO)]+ (L = tripodal tetraamine ligand): Synthesis, structure, DFT calculations and 59Co NMR

H. Kjaergaard, A. Blackman, Lisa F. McClintock, 2009 .

Mechanism of the hydroxyl radical oxidation of methacryloyl peroxynitrate (MPAN) and its pathway toward secondary organic aerosol formation in the atmosphere.

J. Seinfeld, H. Kjaergaard, A. Laskin, 2015, Physical chemistry chemical physics : PCCP.

Computational Investigation of RO2 + HO2 and RO2 + RO2 Reactions of Monoterpene Derived First-Generation Peroxy Radicals Leading to Radical Recycling.

H. Kjaergaard, M. Rissanen, S. Iyer, 2018, The journal of physical chemistry. A.

Stereoselectivity in Atmospheric Autoxidation.

H. Kjaergaard, J. Crounse, P. Wennberg, 2019, The journal of physical chemistry letters.

Response to Comment on “Unexpected Epoxide Formation in the Gas-Phase Photooxidation of Isoprene”

J. Seinfeld, H. Kjaergaard, J. Crounse, 2010, Science.

Atmospheric chemistry of hexa- and penta-fluorobenzene: UV photolysis and kinetics and mechanisms of the reactions of Cl atoms and OH radicals.

H. Kjaergaard, O. Nielsen, T. Wallington, 2018, Physical chemistry chemical physics : PCCP.

Room Temperature Gas-Phase Detection and Gibbs Energies of Water Amine Bimolecular Complex Formation.

H. Kjaergaard, A. S. Hansen, Alexander Kjaersgaard, 2020, The journal of physical chemistry. A.

High-level ab initio studies of the electronic excited states of the hydroxyl radical and water-hydroxyl complex.

H. Kjaergaard, Daniel P Schofield, D. P. Schofield, 2004, The Journal of chemical physics.

A large source of low-volatility secondary organic aerosol

H. Kjaergaard, T. Petäjä, J. Thornton, 2014, Nature.

Criegee Intermediates React with Ozone

H. Kjaergaard, P. Wennberg, T. Kurtén, 2013 .

Isoprene photooxidation: new insights into the production of acids and organic nitrates

J. Seinfeld, H. Kjaergaard, J. Crounse, 2009 .

Calculation of conformationally weighted dipole moments useful in ion-molecule collision rate estimates

H. Kjaergaard, J. Crounse, P. Wennberg, 2009 .

On the possible catalysis by single water molecules of gas-phase hydrogen abstraction reactions by OH radicals.

H. Kjaergaard, T. Wallington, T. Kurtén, 2012, Physical chemistry chemical physics : PCCP.

Reactivity of Electronically Excited SO2 with Alkanes.

V. Vaida, H. Kjaergaard, J. Kroll, 2018, The journal of physical chemistry. A.

Infrared and Near-Infrared Spectroscopy of Acetylacetone and Hexafluoroacetylacetone.

D. Howard, H. Kjaergaard, M. Meuwly, 2015, The journal of physical chemistry. A.

Competition between chloride and sulphate during the reformation of calcined hydrotalcite

H. Kjaergaard, S. Stipp, B. Christiansen, 2016 .

Accumulation of lipophilic dications by mitochondria and cells.

H. Kjaergaard, Robin A. J. Smith, V. Skulachev, 2006, The Biochemical journal.

Cost-Effective Implementation of Multiconformer Transition State Theory for Alkoxy Radical Unimolecular Reactions.

H. Kjaergaard, Qian Zhao, J. Chen, 2022, The journal of physical chemistry. A.

OH- and CH-Stretching Overtone Spectra of Catechol

D. Howard, H. Kjaergaard, M. Fujii, 2002 .

High level ab initio studies of the excited states of sulfuric acid and sulfur trioxide

H. Kjaergaard, Daniel P Schofield, T. W. Robinson, 2003 .

On the association of neutral and cationic tris(tetrathiafulvaleno)dodecadehydro[18]annulenes.

F. Diederich, H. Kjaergaard, C. R. Parker, 2016, Organic & biomolecular chemistry.

SH-stretching vibrational spectra of ethanethiol and tert-butylthiol.

B. J. Miller, D. Howard, V. Vaida, 2009, The journal of physical chemistry. A.

Vibrational OH-stretching overtone spectroscopy of jet-cooled resorcinol and hydroquinone rotamers.

D. Howard, H. Kjaergaard, M. Fujii, 2007, The journal of physical chemistry. A.

Hydrogen bonded OH-stretching vibration in the water dimer.

H. Kjaergaard, Joseph R. Lane, Daniel P Schofield, 2007, The journal of physical chemistry. A.

CH-stretching overtone spectra of cis- and trans-1,3-pentadiene.

H. Kjaergaard, B. Henry, M. Kuschel, 2006, The journal of physical chemistry. A.

Infrared identification of matrix isolated H2O.O2.

H. Kjaergaard, T. I. Quickenden, A. McKinley, 2005, The journal of physical chemistry. A.

Absolute intensities of CH stretching overtones in alkenes.

H. Kjaergaard, Z. Rong, T. W. Robinson, 2005, The journal of physical chemistry. A.

Vibrational Overtone Spectroscopy of Jet-Cooled Aminophenols as a Probe for Rotational Isomers

H. Kjaergaard, M. Fujii, T. W. Robinson, 2004 .

Complexes of Importance to the Absorption of Solar Radiation

D. Howard, V. Vaida, H. Kjaergaard, 2003 .

Photoswitchable Dihydroazulene Macrocycles for Solar Energy Storage: The Effects of Ring Strain.

H. Kjaergaard, K. Mikkelsen, M. Nielsen, 2017, The Journal of organic chemistry.

Towards Storage of Solar Energy in Photochromic Molecules: Benzannulation of the Dihydroazulene/Vinylheptafulvene Couple

H. Kjaergaard, K. Mikkelsen, M. Nielsen, 2017 .

Solar Thermal Energy Storage in a Photochromic Macrocycle.

H. Kjaergaard, K. Mikkelsen, M. Cacciarini, 2016, Chemistry.

The most stable conformer of benzyl alcohol

B. J. Miller, H. Kjaergaard, M. Fujii, 2008 .

Counterpoise corrected geometries of hydrated complexes.

H. Kjaergaard, Joseph R. Lane, A. Garden, 2006, The Journal of chemical physics.

Interactions between tetrathiafulvalene units in dimeric structures – the influence of cyclic cores

H. Kjaergaard, C. R. Parker, O. Hammerich, 2015, Beilstein journal of organic chemistry.

Calculated CH-Stretching Overtone Spectra of Naphthalene, Anthracene and Their Cations

H. Kjaergaard, T. W. Robinson, K. A. Brooking, 2000 .

Measurement of ultraweak transitions in the visible region of molecular oxygen

D. Howard, H. Kjaergaard, N. V. Leeuwen, 2004 .

Accurate Calculations of OH-stretching Intensities with a Reduced Dimensional Local Mode Model Including Eckart Axis Embedding.

H. Kjaergaard, Emil Vogt, Pablo Bertran Valls, 2020, The journal of physical chemistry. A.

Controlling two-step multimode switching of dihydroazulene photoswitches.

H. Kjaergaard, K. Mikkelsen, M. Nielsen, 2015, Chemistry.

The effect of large amplitude motions on the transition frequency redshift in hydrogen bonded complexes: a physical picture.

H. Kjaergaard, L. Halonen, V. Hänninen, 2014, The Journal of chemical physics.

Unusual Low-Energy Near-Infrared Bands for Ferrocenyl–Naphthalimide Donor–Acceptor Dyads with Aromatic Spacer Groups: Prediction by Time-Dependent DFT and Observation by OTTLE Spectroscopy

C. J. McAdam, H. Kjaergaard, B. Robinson, 2015 .

Infrared measurements and calculations on H2O.HO.

H. Kjaergaard, T. I. Quickenden, A. McKinley, 2003, Journal of the American Chemical Society.

Computational and Experimental Evidence of Two Competing Thermal Electrocyclization Pathways for Vinylheptafulvene.

H. Kjaergaard, M. Cacciarini, A. Skov, 2018, Chemistry, an Asian journal.

Definition of the hydrogen bond (IUPAC Recommendations 2011)

David J. Nesbitt, Pavel Hobza, Gautam R. Desiraju, 2011 .

Defining the hydrogen bond: an account

G. Desiraju, H. Kjaergaard, D. Clary, 2011 .

Theoretical study, and infrared and Raman spectra of copper(II) chelated complex with dibenzoylmethane.

H. Kjaergaard, S. Tayyari, A. Nekoei, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Calculated band profiles of the OH-stretching transitions in water dimer.

H. Kjaergaard, L. Halonen, A. Garden, 2008, The journal of physical chemistry. A.

Calculation of the O-H stretching vibrational overtone spectrum of the water dimer.

H. Kjaergaard, J. Tennyson, L. Halonen, 2008, The journal of physical chemistry. A.

Hydrogen bonding to divalent sulfur.

D. Howard, H. Kjaergaard, 2008, Physical chemistry chemical physics : PCCP.

Positively Charged Phosphorus as a Hydrogen Bond Acceptor.

Lin Du, Henrik G Kjaergaard, H. Kjaergaard, 2014, The journal of physical chemistry letters.

Atmospheric water vapor complexes and the continuum

Stanley C. Solomon, Henrik G. Kjaergaard, H. Kjaergaard, 2004 .

Hydrated Complexes: Relevance to Atmospheric Chemistry and Climate

V. Vaida, H. Kjaergaard, K. Feierabend, 2003 .

Ultrathin Reduced Graphene Oxide Films as Transparent Top‐Contacts for Light Switchable Solid‐State Molecular Junctions

H. Kjaergaard, Rui Wang, Xiaohui Qiu, 2013, Advanced materials.

Influence of intramolecular hydrogen bond strength on OH-stretching overtones.

Henrik G Kjaergaard, D. Howard, H. Kjaergaard, 2006, The journal of physical chemistry. A.

Weak intramolecular interactions in ethylene glycol identified by vapor phase OH-stretching overtone spectroscopy.

Poul Jørgensen, Henrik G Kjaergaard, P. Jørgensen, 2005, Journal of the American Chemical Society.

The relative intensity contributions of axial and equatorial CH bonds in the local mode overtone spectra of cyclohexane

H. Kjaergaard, B. Henry, 1992 .

Intramolecular Hydrogen Bonding in Substituted Aminoalcohols.

H. Kjaergaard, Joseph R. Lane, G. C. Saunders, 2016, The journal of physical chemistry. A.

CH stretching overtone spectra of trimethyl amine and dimethyl sulfide

G. R. Low, H. Kjaergaard, K. Gough, 2004 .

CH-stretching overtone spectroscopy of 1,1,1,2-tetrafluoroethane.

D. Howard, H. Kjaergaard, A. Steeves, 2005, The journal of physical chemistry. A.

Side-by-Side Comparison of Hydroperoxide and Corresponding Alcohol as Hydrogen-Bond Donors.

H. Kjaergaard, Kristian H. Møller, C. M. Tram, 2017, The journal of physical chemistry. A.

Kinetics and Products of the Reaction of the First-Generation Isoprene Hydroxy Hydroperoxide (ISOPOOH) with OH.

H. Kjaergaard, F. Keutsch, J. Crounse, 2016, The journal of physical chemistry. A.

Peroxy radical chemistry and OH radical production during the NO 3 -initiated oxidation of isoprene

J. Seinfeld, H. Kjaergaard, P. Wennberg, 2012 .

Electronic Supporting Information ( ESI ) Peroxy radical isomerization in the oxidation of isoprene

H. Kjaergaard, J. Crounse, P. Wennberg, 2011 .

New Insights into the Radical Chemistry and Product Distribution in the OH-Initiated Oxidation of Benzene.

H. Kjaergaard, J. Crounse, P. Wennberg, 2020, Environmental science & technology.

Highly Oxygenated Organic Molecules (HOM) from Gas-Phase Autoxidation Involving Peroxy Radicals: A Key Contributor to Atmospheric Aerosol

H. Kjaergaard, J. Thornton, D. Worsnop, 2019, Chemical reviews.

The Importance of Peroxy Radical Hydrogen-Shift Reactions in Atmospheric Isoprene Oxidation.

H. Kjaergaard, K. Bates, Kristian H. Møller, 2019, The journal of physical chemistry. A.

Hydroxyl radical-induced formation of highly oxidized organic compounds

H. Kjaergaard, M. Kulmala, F. Stratmann, 2016, Nature Communications.

Atmospheric fate of methacrolein. 1. Peroxy radical isomerization following addition of OH and O2.

H. Kjaergaard, J. Crounse, P. Wennberg, 2012, The journal of physical chemistry. A.

Unexpected Epoxide Formation in the Gas-Phase Photooxidation of Isoprene

J. Seinfeld, H. Kjaergaard, J. Crounse, 2009, Science.

Gibbs energy of complex formation – combining infrared spectroscopy and vibrational theory

H. Kjaergaard, A. S. Hansen, Emil Vogt, 2019, International Reviews in Physical Chemistry.

Effect of Freezing out Vibrational Modes on Gas-Phase Fluorescence Spectra of Small Ionic Dyes.

H. Kjaergaard, S. Nielsen, J. Langeland, 2021, The journal of physical chemistry letters.

Atmospheric fate of methacrolein. 2. Formation of lactone and implications for organic aerosol production.

H. Kjaergaard, J. Crounse, P. Wennberg, 2012, The journal of physical chemistry. A.

Intramolecular OH···π interactions in alkenols and alkynols.

Benjamin J Miller, Joseph R Lane, Henrik G Kjaergaard, 2011, Physical chemistry chemical physics : PCCP.

Fundamental FH-stretching transition frequencies and oscillator strengths in hydrogen bonded FH complexes

H. Kjaergaard, J. Lisy, Kasper Mackeprang, 2018 .

Vibrational transitions in hydrogen bonded bimolecular complexes – A local mode perturbation theory approach to transition frequencies and intensities

H. Kjaergaard, Kasper Mackeprang, 2017 .

Absolute fundamental and overtone OH and OD stretching intensities of alcohols.

H. Kjaergaard, Jens Wallberg, 2019, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Calculated OH-Stretching Vibrational Transitions in the Water-Nitrogen and Water-Oxygen Complexes

G. R. Low, D. Howard, H. Kjaergaard, 2002 .

Spectroscopy of OSSO and Other Sulfur Compounds Thought to be Present in the Venus Atmosphere.

H. Kjaergaard, Joseph R. Lane, Benjamin N. Frandsen, 2020, The journal of physical chemistry. A.

Coupling of torsion and OH-stretching in tert-butyl hydroperoxide. I. The cold and warm first OH-stretching overtone spectrum.

Mark A. Boyer, H. Kjaergaard, M. Lester, 2021, The Journal of chemical physics.

CALCULATION OF DIPOLE MOMENT FUNCTIONS WITH DENSITY FUNCTIONAL THEORY : APPLICATION TO VIBRATIONAL BAND INTENSITIES

H. Kjaergaard, K. A. Brooking, Katherine J. Bezar, 1999 .

Atmospheric absorption of near infrared and visible solar radiation by the hydrogen bonded water dimer

Adrian F. Tuck, Henrik G. Kjaergaard, Lisa M. Goss, 2001 .

Atmospheric fate of methyl vinyl ketone: peroxy radical reactions with NO and HO2.

H. Kjaergaard, J. Crounse, P. Wennberg, 2015, The journal of physical chemistry. A.

Fundamental and overtone vibrational spectroscopy, enthalpy of hydrogen bond formation and equilibrium constant determination of the methanol-dimethylamine complex.

H. Kjaergaard, Lin Du, Kasper Mackeprang, 2013, Physical chemistry chemical physics : PCCP.

Back Cover: Controlling Two‐Step Multimode Switching of Dihydroazulene Photoswitches (Chem. Eur. J. 10/2015)

H. Kjaergaard, K. Mikkelsen, M. Nielsen, 2015 .

2,6-Diazaanthracene-9,10-dione and its Radical Anion— A Structural and Spectroscopic Investigation

H. Kjaergaard, A. Flood, K. Gordon, 2003 .

Identification of the water amidogen radical complex.

H. Kjaergaard, A. McKinley, Joseph R. Lane, 2009, Journal of the American Chemical Society.

Weak intramolecular OH⋯π hydrogen bonding in methallyl- and allyl-carbinol

H. Kjaergaard, Kasper Mackeprang, Sidsel D Schrøder, 2013 .

Design aspects of bright red emissive silver nanoclusters/DNA probes for microRNA detection.

H. Kjaergaard, J. Hofkens, E. Fron, 2012, ACS nano.

Calculated spectroscopy and atmospheric photodissociation of phosphoric acid.

H. Kjaergaard, Joseph R. Lane, Priyanka Gupta, 2010, The journal of physical chemistry. A.

XH-stretching overtone transitions calculated using explicitly correlated coupled cluster methods.

H. Kjaergaard, Joseph R. Lane, 2010, The Journal of chemical physics.

Calculated electronic transitions of the water ammonia complex.

V. Vaida, H. Kjaergaard, Joseph R. Lane, 2008, The Journal of chemical physics.

Atmospheric Fate of the CH3SOO Radical from the CH3S + O2 Equilibrium.

H. Kjaergaard, J. Chen, Joseph R. Lane, 2021, The journal of physical chemistry. A.

Acetonyl Peroxy and Hydro Peroxy Self- and Cross- Reactions: Kinetics, Mechanism, and Chaperone Enhancement from the Perspective of the Hydroxyl Radical Product.

H. Kjaergaard, C. Percival, S. Sander, 2020, The journal of physical chemistry. A.

Atmospheric Autoxidation of Amines.

H. Kjaergaard, T. Berndt, Kristian H. Møller, 2020, Environmental science & technology.

Double Bonds are Key to Fast Unimolecular Reactivity in First-Generation Monoterpene Hydroxy Peroxy Radicals.

H. Kjaergaard, Jing Chen, Kristian H. Møller, 2020, The journal of physical chemistry. A.

Thermalized Epoxide Formation in the Atmosphere.

H. Kjaergaard, J. Thornton, K. Bates, 2019, The journal of physical chemistry. A.

Formation of Highly Oxidized Molecules from NO3 Radical Initiated Oxidation of Δ-3-Carene: A Mechanistic Study

H. Kjaergaard, J. Smith, T. Kurtén, 2019, ACS Earth and Space Chemistry.

Kinetics and Product Yields of the OH Initiated Oxidation of Hydroxymethyl Hydroperoxide.

Mitchell P. Krawiec-Thayer, H. Kjaergaard, F. Keutsch, 2018, The journal of physical chemistry. A.

Alkoxy Radical Bond Scissions Explain the Anomalously Low Secondary Organic Aerosol and Organonitrate Yields From α-Pinene + NO3.

H. Kjaergaard, P. Misztal, P. Wennberg, 2017, The journal of physical chemistry letters.

Isomerization of Second-Generation Isoprene Peroxy Radicals: Epoxide Formation and Implications for Secondary Organic Aerosol Yields.

H. Kjaergaard, J. Thornton, F. Lopez‐Hilfiker, 2017, Environmental science & technology.

Rapid Hydrogen Shift Scrambling in Hydroperoxy-Substituted Organic Peroxy Radicals.

H. Kjaergaard, P. Wennberg, S. Jørgensen, 2016, The journal of physical chemistry. A.

Gas Phase Detection of the NH-P Hydrogen Bond and Importance of Secondary Interactions.

Henrik G Kjaergaard, H. Kjaergaard, A. S. Hansen, 2015, The journal of physical chemistry. A.

Effect of hydration on the hydrogen abstraction reaction by HO in DMS and its oxidation products.

Henrik G Kjaergaard, H. Kjaergaard, S. Jørgensen, 2010, The journal of physical chemistry. A.

Identification of OSSO as a near‐UV absorber in the Venusian atmosphere

H. Kjaergaard, P. Wennberg, Benjamin N. Frandsen, 2016 .

Comparison of the Morse and Deng-Fan potentials for X-H bonds in small molecules

H. Kjaergaard, Z. Rong, M. Sage, 2003 .

METHYL VERSUS ARYL CH AND CD STRETCHING OVERTONE INTENSITIES IN THE VAPOR PHASE SPECTRA OF TOLUENES

H. Kjaergaard, D. Turnbull, B. Henry, 1997 .

CH-stretching overtone spectra and internal methyl rotation in 2,6-difluorotoluene

H. Kjaergaard, Chenxi Zhu, B. Henry, 1997 .

Conformer Specific Photolysis of Pyruvic Acid and the Effect of Water.

V. Vaida, H. Kjaergaard, J. Doussin, 2020, The journal of physical chemistry. A.

Coupling of torsion and OH-stretching in tert-butyl hydroperoxide. II. The OH-stretching fundamental and overtone spectra.

Mark A. Boyer, H. Kjaergaard, M. Lester, 2021, The Journal of chemical physics.

Local Modes of Vibration: The Effect of Low‐Frequency Vibrations

H. Kjaergaard, A. S. Hansen, Emil Vogt, 2019, Molecular Spectroscopy.

Internal Methyl Rotation in the CH Stretching Overtone Spectra of Toluene-α-d2, -α-d1, and -d0

D. Howard, H. Kjaergaard, Z. Rong, 2000 .

Deuterium Isotope Effects on the CH Stretching Overtone Spectrum of Toluene-α-d1

H. Kjaergaard, B. Henry, David M. Turnbull and, 1998 .

The effect of fluorine substitution in alcohol-amine complexes.

H. Kjaergaard, A. S. Hansen, Lin Du, 2014, Physical chemistry chemical physics : PCCP.

Attenuated Deuterium Stabilization of Hydrogen Bound Complexes at Room Temperature.

H. Kjaergaard, Alexander Kjaersgaard, Emil Vogt, 2020, The journal of physical chemistry. A.

Are Bond Critical Points Really Critical for Hydrogen Bonding?

Jean-Philip Piquemal, Julia Contreras-García, Benjamin J Miller, 2013, Journal of chemical theory and computation.

Calculated OH-stretching and HOH-bending vibrational transitions in the water dimer

H. Kjaergaard, D. P. Schofield, 2003 .

Towards solar energy storage in the photochromic dihydroazulene-vinylheptafulvene system.

H. Kjaergaard, K. Mikkelsen, M. Cacciarini, 2015, Chemistry.

Theoretical Investigation of Substituent Effects on the Dihydroazulene/Vinylheptafulvene Photoswitch: Increasing the Energy Storage Capacity.

H. Kjaergaard, K. Mikkelsen, M. Nielsen, 2016, The journal of physical chemistry. A.

Computational methodology study of the optical and thermochemical properties of a molecular photoswitch.

H. Kjaergaard, K. Mikkelsen, M. Nielsen, 2015, The journal of physical chemistry. A.

Molecular dynamic simulations of OH-stretching overtone induced photodissociation of fluorosulfonic and chlorosulfonic acid.

H. Kjaergaard, Joseph R. Lane, Priyanka Gupta, 2010, Physical chemistry chemical physics : PCCP.

Chapter 8 Atmospheric Photolysis of Sulfuric Acid

M. Mills, H. Kjaergaard, Joseph R. Lane, 2008 .

Calculation of vibrational transition frequencies and intensities in water dimer: comparison of different vibrational approaches.

Devin A Matthews, John F Stanton, Henrik G Kjaergaard, 2008, The journal of physical chemistry. A.

Atmospheric Hydroxyl Radical Source: Reaction of Triplet SO2 and Water.

V. Vaida, H. Kjaergaard, J. Kroll, 2018, The journal of physical chemistry. A.

Simulated Electronic Absorption Spectra of Sulfur-Containing Molecules Present in Earth's Atmosphere.

H. Kjaergaard, Joseph R. Lane, Benjamin N. Frandsen, 2019, The journal of physical chemistry. A.

The effect of large amplitude motions on the vibrational intensities in hydrogen bonded complexes.

H. Kjaergaard, L. Halonen, V. Hänninen, 2015, The Journal of chemical physics.

Correction to “Calculation of the O–H Stretching Vibrational Overtone Spectrum of the Water Dimer”

H. Kjaergaard, J. Tennyson, L. Halonen, 2012 .

SO2 formation and peroxy radical isomerization in the atmospheric reaction of OH radicals with dimethyl disulfide.

H. Kjaergaard, N. Prisle, H. Herrmann, 2020, Chemical communications.

Global airborne sampling reveals a previously unobserved dimethyl sulfide oxidation mechanism in the marine atmosphere

J. Lamarque, J. Peischl, H. Kjaergaard, 2020, Proceedings of the National Academy of Sciences.

Accuracy of XH-stretching intensities with the Deng–Fan potential

Daniel S. Sage, H. Kjaergaard, D. S. Sage, 2018, Molecular Physics.

The lowest 2A' excited state of the water-hydroxyl complex.

Micah L. Abrams, H. Kjaergaard, T. Crawford, 2006, The Journal of chemical physics.

Benchmarking ab initio binding energies of hydrogen-bonded molecular clusters based on FTIR spectroscopy.

H. Kjaergaard, N. Bork, T. Kurtén, 2014, The journal of physical chemistry. A.

Redox chemistry of an ethenyl complex with isolobal CbCo and CpFe fragments

C. J. McAdam, H. Kjaergaard, B. Robinson, 2008 .

Calculation of vibrational (J=0) excitation energies and band intensities of formaldehyde using the recursive residue generation method

T. Carrington, H. Kjaergaard, M. Bramley, 1996 .

The gas-phase reaction of methane sulfonic acid with the hydroxyl radical without and with water vapor.

H. Kjaergaard, S. Jørgensen, J. Anglada, 2013, Physical chemistry chemical physics : PCCP.

Chemical properties of HULIS from three different environments

H. Kjaergaard, M. Glasius, C. Koch, 2015, Journal of Atmospheric Chemistry.

Calculated oh-stretching vibrational transitions of the water-nitric acid complex

H. Kjaergaard, 2002 .

Isoprene photooxidation mechanism: resonance channels and implications for the production of nitrates and acids

J. Seinfeld, H. Kjaergaard, J. Crounse, 2008 .

Methyl chavicol reactions with ozone, OH and NO3 radicals: Rate constants and gas-phase products

Lin Du, Henrik G. Kjaergaard, H. Kjaergaard, 2013 .

Calculated intensity in the local mode overtone spectra of hydrogen peroxide

H. Kjaergaard, B. Henry, J. D. Goddard, 1991 .

Room Temperature Gibbs Energies of Hydrogen Bonded Alcohol Dimethylselenide Complexes.

H. Kjaergaard, Joseph R. Lane, Alexander Kjaersgaard, 2019, Journal of Physical Chemistry A.

Subtle differences in the hydrogen bonding of alcohol to divalent oxygen and sulfur

H. Kjaergaard, Shanshan Tang, A. S. Hansen, 2017 .

Resolving the anomalous infrared spectrum of the MeCN-HCl molecular cluster using ab initio molecular dynamics.

H. Kjaergaard, H. Vehkamäki, N. Bork, 2014, Physical chemistry chemical physics : PCCP.

Intramolecular Hydrogen Shift Chemistry of Hydroperoxy-Substituted Peroxy Radicals.

H. Kjaergaard, J. Crounse, P. Wennberg, 2018, The journal of physical chemistry. A.

Production and Fate of C4 Dihydroxycarbonyl Compounds from Isoprene Oxidation.

J. Seinfeld, H. Kjaergaard, J. Crounse, 2016, The journal of physical chemistry. A.

Characterisation of dihydroazulene and vinylheptafulvene derivatives using Raman spectroscopy: The CN-stretching region.

H. Kjaergaard, K. Mikkelsen, M. Nielsen, 2016, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Calculated two-photon electronic transitions in sulfuric acid and its atmospheric relevance

H. Kjaergaard, K. Mikkelsen, D. Mogensen, 2010 .

Hybridization of Nitrogen Determines Hydrogen-Bond Acceptor Strength: Gas-Phase Comparison of Redshifts and Equilibrium Constants.

H. Kjaergaard, A. S. Hansen, Lin Du, 2018, The journal of physical chemistry. A.

Photolysis of sulfuric acid vapor by visible light as a source of the polar stratospheric CN layer

M. Mills, V. Vaida, H. Kjaergaard, 2005 .

Vibrational and electronic spectroscopy of sulfuric acid vapor

V. Vaida, H. Kjaergaard, P. Hintze, 2003 .

Reaction of Atmospherically Relevant Sulfur-Centered Radicals with RO2 and HO2.

H. Kjaergaard, J. Chen, Joseph R. Lane, 2023, The journal of physical chemistry. A.

Unimolecular Reactions Following Indoor and Outdoor Limonene Ozonolysis.

H. Kjaergaard, P. Wennberg, Jing Chen, 2021, The journal of physical chemistry. A.

Calculation of OH-stretching band intensities of the water dimer and trimer

G. R. Low, H. Kjaergaard, 1999 .

CALCULATION OF VIBRATIONAL FUNDAMENTAL AND OVERTONE BAND INTENSITIES OF H2O

T. Carrington, H. Kjaergaard, B. Henry, 1994 .

The quantum mechanical Hamiltonian in curvilinear coordinates: A simple derivation

H. Kjaergaard, O. S. Mortensen, 1990 .

Shapes Folding DNA into Twisted and Curved Nanoscale

John H. Seinfeld, Paul O. Wennberg, Henrik G. Kjaergaard, 2009 .

Alkoxy Radical Bond Scissions Explain the Anomalously Low Secondary Organic Aerosol and Organonitrate Yields From alpha-Pinene +

H. Kjaergaard, P. Misztal, P. Wennberg, 2022 .

CH STRETCHING OVERTONE SPECTRA AND INTENSITIES OF VAPOR PHASE NAPHTHALENE

H. Kjaergaard, B. Henry, 1995 .

Atmospheric Chemistry of CH3OCF2CHF2.

H. Kjaergaard, O. Nielsen, Kristian H. Møller, 2021, The journal of physical chemistry. A.

Calculated electronic transitions in sulfuric acid and implications for its photodissociation in the atmosphere.

H. Kjaergaard, Joseph R. Lane, 2008, The journal of physical chemistry. A.

Vibrational overtone spectroscopy of phenol and its deuterated isotopomers.

B. J. Miller, H. Kjaergaard, M. Fujii, 2006, The journal of physical chemistry. A.

Intensity of CH‐ and NH‐stretching transitions in the overtone spectra of cyclopropylamine

H. Kjaergaard, B. Henry, B. Niefer, 1993 .

Theoretical investigation of the hydrogen shift reactions in peroxy radicals derived from the atmospheric decomposition of 3-methyl-3-buten-1-ol (MBO331)

H. Kjaergaard, S. Jørgensen, Hasse C Knap, 2015 .

Intramolecular OH p interactions in alkenols and alkynolsw

B. J. Miller, H. Kjaergaard, Joseph R. Lane, 2011 .

Ab initio calculation of dipole moment functions: application to vibrational band intensities of H2O

H. Kjaergaard, B. Henry, 1994 .

Dependence of an Acoustically Nonresonant Intracavity Photoacoustic Signal on Sample and Buffer Gas Pressure

H. Kjaergaard, D. Turnbull, B. Henry, 1995 .

Atmospheric absorption of near infrared and visible solar radiation by the hydrogen bonded water dimer

V. Vaida, H. Kjaergaard, J. Daniel, 2001 .

Intensities of CH‐ and CD‐stretching overtones in 1,3‐butadiene and 1,3‐butadiene‐d6

H. Kjaergaard, D. Turnbull, B. Henry, 1993 .

Intensities in local mode overtone spectra of dimethyl ether and acetone

H. Kjaergaard, B. Henry, A. Tarr, 1991 .

Intensities in local mode overtone spectra: Propane

H. Kjaergaard, B. Henry, A. Tarr, 1990 .

Gas-Phase Room-Temperature Detection of the tert-Butyl Hydroperoxide Dimer.

H. Kjaergaard, Casper V Jensen, C. Jensen, 2023, The journal of physical chemistry. A.

The weak fundamental NH-stretching transition in amines.

H. Kjaergaard, A. S. Hansen, Lin Du, 2017, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Resonance coupling in the fourth OH-stretching overtone spectrum of formic acid.

D. Howard, H. Kjaergaard, 2004, The Journal of chemical physics.

The effect of NH2-inversion tunneling splitting on the NH-stretching overtone spectra of aniline vapour

D. Howard, H. Kjaergaard, A. Fraser, 2004 .

The role of electron correlation on calculated XH-stretching vibrational band intensities

H. Kjaergaard, C. Daub, B. Henry, 1997 .

Intensities of CH-stretching overtones in 2-butenes

H. Kjaergaard, D. Turnbull, B. Henry, 1995 .

The nature of molecular vibrations selected by various excitation processes

H. Kjaergaard, O. S. Mortensen, 1989 .

Intensities of CH‐ and CD‐Stretching Overtones in 1,3‐Butadiene and 1, 3‐Butadiene‐d6

H. Kjaergaard, D. Turnbull, B. Henry, 1994 .

CH Stretching Overtone Investigation of Relative CH Bond Lengths in Pyridine

H. Kjaergaard, B. Henry, Robert J. Proos, 1996 .

Spectroscopic Investigation of Subtle CH-Bond Changes between Solid and Vapor Phase Naphthalene

H. Kjaergaard, B. Henry, 1996 .

Reduced-dimensional vibrational models of the water dimer.

H. Kjaergaard, A. Császár, Irén Simkó, 2022, The Journal of chemical physics.

Infrared Identification of Matrix Isolated H2O×O2.

H. Kjaergaard, T. I. Quickenden, A. McKinley, 2005 .

Computational Comparison of Different Reagent Ions in the Chemical Ionization of Oxidized Multifunctional Compounds.

H. Kjaergaard, P. Wennberg, M. Rissanen, 2018, The journal of physical chemistry. A.

Unexpected Epoxide Formation in the Gas-Phase Photooxidation of Isoprene

J. Seinfeld, H. Kjaergaard, J. Crounse, 2009, Science.

Atmospheric autoxidation is increasingly important in urban and suburban North America

H. Kjaergaard, J. Crounse, P. Wennberg, 2017, Proceedings of the National Academy of Sciences.

Modelling and calculation of dipole moment functions for XH bonds

H. Kjaergaard, C. Daub, B. Henry, 1999 .

The formation of highly oxidized multifunctional products in the ozonolysis of cyclohexene.

H. Kjaergaard, T. Petäjä, J. Thornton, 2014, Journal of the American Chemical Society.

Atmospheric fate of methacrolein. 2. Formation of lactone and implications for organic aerosol production.

H. Kjaergaard, J. Crounse, P. Wennberg, 2012, The journal of physical chemistry. A.

Spectroscopy and dynamics of double proton transfer in formic acid dimer.

H. Kjaergaard, M. Meuwly, Zhen-Hao Xu, 2016, Physical chemistry chemical physics : PCCP.

Double Bonds are Key to Fast Unimolecular Reactivity in First-Generation Monoterpene Hydroxy Peroxy Radicals.

H. Kjaergaard, Jing Chen, Kristian H. Møller, 2020, The journal of physical chemistry. A.

Atmospheric Oxidation of Hydroperoxy Amides.

H. Kjaergaard, Kristian H. Møller, Eva R. Kjærgaard, 2023, The journal of physical chemistry. A.

Particle-phase accretion forms dimer esters in pinene secondary organic aerosol

J. Seinfeld, H. Kjaergaard, P. Wennberg, 2023, Science.

Multireference and Coupled-Cluster Study of Dimethyltetroxide (MeO4Me) Formation and Decomposition.

H. Kjaergaard, N. Runeberg, T. Kurtén, 2024, The journal of physical chemistry. A.

Vapor phase near infrared spectroscopy of the hydrogen bonded methanol-trimethylamine complex.

D. Howard, H. Kjaergaard, 2006, The journal of physical chemistry. A.

Intensities in local mode overtone spectra: Propane

Henrik G. Kjaergaard, H. Kjaergaard, B. Henry, 1990 .

Intramolecular Hydrogen Bonding in Methyl Lactate.

V. Vaida, H. Kjaergaard, J. Kroll, 2015, The journal of physical chemistry. A.