Gunnar Nyman
Professor
Institutionen för kemi ochOm Gunnar Nyman
Min forskning finns i området teoretisk fysikalisk kemi. Jag fokuserar på kemiska reaktioner och diffusionsprocesser, särskilt sådana som är av intresse i interstellära rymden i områden där stjärnor bildas.
Jag är kursansvarig för andraårskursen i fysikalisk kemi (KEM040) där jag också har huvuddelen av min undervisning.
Jag är ledamot i VRs expertgrupp för etikfrågor. Jag är även fakultetens representant i SITF, dvs universitetets strategiska IT forum.
Mer information finns på de engelska sidorna.
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Classical Wigner model based on a Feynman path integral open
polymer
S. Karl-Mikael Svensson, Jens Aage Poulsen, Gunnar Nyman
Journal of Chemical Physics - 2020-01-01 -
Formation of CO+ by radiative association
II
M Zamecnikova, Magnus Gustafsson, Gunnar Nyman, P Soldan
Monthly notices of the Royal Astronomical Society - 2020-01-01 -
Formation of CO+ by radiative
association
M. Zamecnikova, M. Gustafsson, P. Soldan, Gunnar Nyman
Monthly Notices of the Royal Astronomical Society - 2019-01-01 -
Entropic corrections for the evaluation of the catalytic activity in the Al(iii) catalysed formation of cyclic carbonates from CO2 and
epoxides
J. Gonzalez-Fabra, F. Castro-Gomez, W M C Sameera, Gunnar Nyman, A. W. Kleij, C. Bo
Catalysis Science & Technology - 2019-01-01 -
Infrared vibrational spectra of CH3+ and its deuterated
isotopologues
Gunnar Nyman, H. G. Yu
AIP Advances - 2019-01-01 -
Formation of Na-containing complex molecules in the gas phase in dense molecular clouds: quantum study of the Na+ + H-2 and Na+ + D-2 radiative association
step
Daria Burdakova, Gunnar Nyman, T. Stoecklin
Monthly Notices of the Royal Astronomical Society - 2019-01-01 -
Contact allergy to beeswax and propolis among patients with cheilitis or facial
dermatitis.
Gunnar Nyman, Mimmi Tang, Annica Inerot, Amra Osmancevic, Per Malmberg, Lina Hagvall
Contact Dermatitis - 2019-01-01 -
On the gas-phase formation of the HCO radical: accurate quantum study of the H plus CO radiative
association
T. Stoecklin, P. Halvick, Hua-Gen Yu, Gunnar Nyman, Y. Ellinger
Monthly Notices of the Royal Astronomical Society - 2018-01-01 -
H2 formation on interstellar dust grains: The viewpoints of theory, experiments, models and
observations
V. Wakelam, E. Bron, S. Cazaux, F. Dulieu, C. Gry, P. Guillard, E. Habart, L. Hornekær, S. Morisset, Gunnar Nyman, V. Pirronello, S. D. Price, V. Valdivia, G. Vidali, N. Watanabe
Molecular Astrophysics - 2017-01-01 -
Hydrogen atom mobility, kinetic isotope effects and tunneling on interstellar ices (I-h and
ASW)
Bethmini Senevirathne, Stefan Andersson, F. Dulieu, Gunnar Nyman
Molecular Astrophysics - 2017-01-01 -
Dynamics of Gaussian Wigner functions derived from a time-dependent variational
principle
Jens Aage Poulsen, S. Karl-Mikael Svensson, Gunnar Nyman
AIP Advances - 2017-01-01 -
The rate constant for formation of HCl through radiative
association
R. K. Kathir, Gunnar Nyman, M. Gustafsson
Monthly Notices of the Royal Astronomical Society - 2017-01-01 -
ONIOM(QM:AMOEBA09) Study on Binding Energies and Binding Preference of OH, HCO, and CH3 Radicals on Hexagonal Water Ice
(I-h)
W M C Sameera, Bethmini Senevirathne, Stefan Andersson, F. Maseras, Gunnar Nyman
Journal of Physical Chemistry C - 2017-01-01 -
Contact allergy to beeswax in patients
with
cheilitis
Gunnar Nyman, Mimmi Tang, Annica Inerot, Lina Hagvall
Contact Dermatitis - 2016-01-01 -
Computational Study of the Interactions between Benzene and Crystalline Ice Ih : Ground and Excited
States.
Divya Sharma, W M C Sameera, Stefan Andersson, Gunnar Nyman, Martin J Paterson
Chemphyschem : a European journal of chemical physics and physical chemistry - 2016-01-01 -
Statistical model for the abundance of deuterated ammonia in interstellar
space
Gunnar Nyman
Molecular Astrophysics - 2016-01-01 -
Reaction rate constant for radiative association of
CF+
J. Ostrom, D. S. Bezrukov, Gunnar Nyman, M. Gustafsson
Journal of Chemical Physics - 2016-01-01 -
Hermiticity of Hamiltonian Matrix using the Fourier Basis Sets in Bond-Bond-Angle and Radau
Coordinates
De-quan Yu, He Huang, Gunnar Nyman, Zhi-gang Sun
Chinese Journal of Chemical Physics - 2016-01-01 -
Angular Scattering Dynamics of the CH4 + Cl→ CH3 + HCl Reaction using Nearside-Farside, Local Angular Momentum and Resummation
Theories.
Ashley J Totenhofer, Jonathan N L Connor, Gunnar Nyman
The journal of physical chemistry. B - 2016-01-01 -
Formation of the Hydroxyl Radical by Radiative
Association.
S. Karl-Mikael Svensson, Magnus Gustafsson, Gunnar Nyman
The journal of physical chemistry. A - 2015-01-01 -
Computational methods to study the formation of small molecules by radiative
association
Gunnar Nyman, Magnus Gustafsson, Sergey V. Antipov
International Reviews in Physical Chemistry - 2015-01-01 -
The 2014 kida network for interstellar
chemistry
V. Wakelam, J. C. Loison, E. Herbst, B. Pavone, A. Bergeat, K. Béroff, M. Chabot, A. Faure, D. Galli, W. D. Geppert, D. Gerlich, P. Gratier, N. Harada, K. M. Hickson, P. Honvault, S. J. Klippenstein, S. D. L. Picard, Gunnar Nyman, M. Ruaud, S. Schlemmer, I. R. Sims, D. Talbi, J. Tennyson, R. Wester
The Astrophysical Journal Supplement Series - 2015-01-01 -
Application of a new ensemble conserving quantum dynamics simulation algorithm to liquid para-hydrogen and
ortho-deuterium
K. K. G. Smith, Jens Aage Poulsen, Gunnar Nyman, A. Cunsolo, P. J. Rossky
Journal of Chemical Physics - 2015-01-01 -
A new class of ensemble conserving algorithms for approximate quantum dynamics: Theoretical formulation and model
problems
K. K. G. Smith, Jens Aage Poulsen, Gunnar Nyman, P. J. Rossky
Journal of Chemical Physics - 2015-01-01 -
Radiative association rate constant for the formation of CO: the importance of the first excited (1)Sigma(+)
state
M. Gustafsson, Gunnar Nyman
Monthly Notices of the Royal Astronomical Society - 2015-01-01 -
Computational methods of quantum reaction
dynamics
Gunnar Nyman
International Journal of Quantum Chemistry - 2014-01-01 -
The rate constant for radiative association of HF. Comparing quantum and classical
dynamics.
Magnus Gustafsson, Manuel Monge Palacios, Gunnar Nyman
Journal of Chemical Physics - 2014-01-01 -
Tunneling Dynamics Using Classical-like Trajectories with an Effective Quantum
Force
Huaqing Li, Jens Aage Poulsen, Gunnar Nyman
Journal of Physical Chemistry Letters - 2013-01-01 -
Formation of the SiP Radical through Radiative
Association
Nikolay V. Golubev, Dmitry S. Bezrukov, Magnus Gustafsson, Gunnar Nyman, Sergey V. Antipov
Journal of Physical Chemistry A - 2013-01-01 -
Isotope effect in the formation of carbon monoxide by radiative
association
Sergey V. Antipov, Magnus Gustafsson, Gunnar Nyman
Monthly Notices of the Royal Astronomical Society - 2013-01-01 -
Quantum approaches to polyatomic reaction
dynamics
Gunnar Nyman, Hua-Gen Yu
International reviews in physical chemistry - 2013-01-01 -
A KInetic Database for Astrochemistry
(KIDA)
V Wakelam, E Herbst, JC Loison, IWM Smith, V Chandrasekaran, B Pavone, NG Adams, MC Bacchus-Montabonel, A Bergeat, K Beroff, VM Bierbaum, M Chabot, A Dalgarno, EF van Dishoeck, A Faure, WD Geppert, D Gerlich, D Galli, E Hebrard, F Hersant, KM Hickson, P Honvault, SJ Klippenstein, S Le Picard, Gunnar Nyman, P Pernot, S Schlemmer, F Selsis, IR Sims, D Talbi, J Tennyson, J Troe, R Wester, L Wiesenfeld
Astrophysical Journal Supplement Series - 2012-01-01 -
Refined theoretical study of radiative association: Cross sections and rate constants for the formation of
SiN
Magnus Gustafsson, Sergey V. Antipov, Jan Franz, Gunnar Nyman
Journal of Chemical Physics - 2012-01-01 -
Ion chemistry in
space
M. Larsson, W. D. Geppert, Gunnar Nyman
Reports on Progress in Physics - 2012-01-01 -
THE INFRARED AND UV-VISIBLE SPECTRA OF POLYCYCLIC AROMATIC HYDROCARBONS CONTAINING (5,7)-MEMBER RING DEFECTS: A THEORETICAL
STUDY
Hua-Gen Yu, Gunnar Nyman
Astrophysical Journal - 2012-01-01 -
The classical Wigner method with an effective quantum force: application to the collinear H + H2
reaction.
Huaqing Li, Jens Aage Poulsen, Gunnar Nyman
The journal of physical chemistry. A - 2011-01-01 -
N+CN→C+N2: A global potential energy surface, entrance channel recrossing and the applicability of capture
theory
Terry J Frankcombe, Steven D. McNeil, Gunnar Nyman
Chem.Phys.Lett. - 2011-01-01 -
Formation of carbon monoxide by radiative association: a quantum dynamical
study
Jan Franz, Magnus Gustafsson, Gunnar Nyman
Monthly Notices of the Royal Astronomical Society - 2011-01-01 -
Spin-orbit and rotational couplings in radiative association of C((3)P) and N((4)S)
atoms.
Sergey V. Antipov, Magnus Gustafsson, Gunnar Nyman
The Journal of chemical physics - 2011-01-01 -
Novel algorithm for simulation of 3D quantum reactive atom-diatom
scattering
A.S. Gevorkyana, G.G. Balint-Kurtic, Gunnar Nyman
Procedia Computer Science - 2010-01-01 -
Fitting of 3D Reaction Surface of Three-Atomic System in the Natural Collision
Coordinates
A. Gevorkyan, T. Grigoryan, M. Nalbandyan, V. Hovhannisyan, Gunnar Nyman
Bulletin of Peoples Friendship Univeristy of Russia (PFUR) Series "Mathematics, informatics, physics" - 2010-01-01 -
Formation of carbon monoxide by radiative association: A quantum-mechanical
study
Jan Franz, Magnus Gustafsson, Gunnar Nyman
XVIII European Conference on Dynamics of Molecular Systems - 2010-01-01 -
Molecule Formation by Radiative
Association
Jan Franz, Magnus Gustafsson, Gunnar Nyman
The Chemical Cosmos: Understanding Chemistry in Astronomical Environments - 2010-01-01 -
Molecule Formation in Interstellar
Space
Jan Franz, Magnus Gustafsson, Gunnar Nyman
Department of Chemical- and Biological Engineering at Chalmers University of Technology and Chemistry at University of Gothenburg - 2010-01-01 -
Full-dimensional quantum reaction rate calculations for H + CH(4) → H(2) + CH(3) on a recent potential energy
surface.
Gerd Schiffel, Uwe Manthe, Gunnar Nyman
The journal of physical chemistry. A - 2010-01-01 -
Classical Wigner method with an effective quantum force: application to reaction
rates.
Jens Aage Poulsen, Huaqing Li, Gunnar Nyman
The Journal of chemical physics - 2009-01-01 -
Simulations of CN formation through radiative association: comparing quantal and classical
rates
Sergey V. Antipov, Tobias Sjölander, Gunnar Nyman, Magnus Gustafsson
30th International Symposium on Free Radicals - 2009-01-01 -
Rate coefficient of CN formation through radiative association: A theoretical study of quantum
effects
Sergey V. Antipov, Tobias Sjölander, Gunnar Nyman, Magnus Gustafsson
J. Chem. Phys. - 2009-01-01 -
On the origin of the asymmetric shape of the HCl photodissociation cross
section
Johan A. Schmidt, Matthew S. Johnson, Mette M.-L. Grage, Gunnar Nyman
Chemical Physics Letters - 2009-01-01 -
Kvantmekanik för kemister – På spaning efter atomers egenskaper och molekylers
bindningar
Sture Nordholm, William Eek, Gunnar Nyman, George Bacskay
- 2009-01-01 -
Comparison of quantum dynamics and quantum transition state theory estimates of the H + CH4 reaction
rate.
Stefan Andersson, Gunnar Nyman, Andri Arnaldsson, Uwe Manthe, Hannes Jónsson
The journal of physical chemistry. A - 2009-01-01 -
The hydrogen abstraction reaction H + CH4. II. Theoretical investigation of the kinetics and
dynamics.
J Espinosa-García, Gunnar Nyman, J C Corchado
The Journal of chemical physics - 2009-01-01 -
Dynamics of the O + CN Reaction and N + CO Scattering on Two Coupled
Surfaces
Erik Abrahamsson, Stefan Andersson, Nikola Markovic, Gunnar Nyman
J. Phys. Chem. A - 2009-01-01 -
Rotational Transitions of CO+ Induced by Atomic
Hydrogen
Stefan Andersson, Girts Barinovs, Gunnar Nyman
The Astrophysical Journal - 2008-01-01 -
Mechanisms of Air Oxidation of Ethoxylated Surfactants - Computational Estimations of Energies and Reaction
Behaviors
Carina Bäcktorp, Anna Börje, J. Lars. G Nilsson, Ann-Therese Karlberg, Per-Ola Norrby, Gunnar Nyman
Chemistry - A European Journal - 2008-01-01 -
A new reaction path for the C + NO reaction: dynamics on the 4A'' potential-energy
surface.
Erik Abrahamsson, Stefan Andersson, Nikola Markovic, Gunnar Nyman
Physical chemistry chemical physics : PCCP - 2008-01-01 -
Regular and chaotic quantum dynamics in atom-diatom reactive
collisions
Ashot S. Gevorkyan, Alexander V. Bogdanov, Gunnar Nyman
Physics of Atomic Nuclei - 2008-01-01 -
Statistical modelling of NH+/ND+ + H2/HD/D2 branching
ratios.
Terry J Frankcombe, Gunnar Nyman
Physical chemistry chemical physics : PCCP - 2008-01-01 -
Mechanism of Air Oxidation of the Fragrance Terpene
Geraniol
Carina Bäcktorp, Lina Hagvall, Anna Börje, Ann-Therese Karlberg, Per-Ola Norrby, Gunnar Nyman
J.Chem.Theory Comput. - 2008-01-01 -
Quantum density fluctuations in liquid neon from linearized path-integral
calculations
Jens Aage Poulsen, Johan Scheers, Gunnar Nyman, Peter J Rossky
Physical Review B - 2007-01-01 -
Adiabatic Capture Theory Applied to N + NH N2 + H at Low
Temperature
Terry J Frankcombe, Gunnar Nyman
The journal of physical chemistry. A - 2007-01-01 -
Reactive Scattering of Three-body System as a Basis for Creation of Quantum
Computer
Ashot Gevorkyan, Alexander Bogdanov, Gunnar Nyman, A. A Gevorkyan
Proceedings CSIT conference, Yerevan, Armenia - 2007-01-01 -
Fragrance compound geraniol forms contact allergens on air exposure. Identification and quantification of oxidation products and effect on skin
sensitization
Lina Hagvall, Carina Bäcktorp, Sophie Svensson, Gunnar Nyman, Anna Börje, Ann-Therese Karlberg
Chemical Research in Toxicology - 2007-01-01 -
Accurate quantum calculations of the reaction rates for H/D+
CH4
Rob van Harrevelt, Gunnar Nyman, Uwe Manthe
Journal of Chemical Physics - 2007-01-01 -
Rotational transitions of CO+ induced by atomic
hydrogen.
Girts Barinovs, Gunnar Nyman, Stefan Andersson
Molecules in Space & Laboratory - 2007-01-01 -
Accurate and approximate thermal rate constants for polyatomic chemical
reactions
Gunnar Nyman
Physica Scripta - 2007-01-01 -
Thermochemistry and Accurate Quantum Reaction Rate Calculations for H2/HD/D2 +
CH3
Gunnar Nyman, Rob van Harrevelt, Uwe Manthe
The journal of physical chemistry. A - 2007-01-01 -
Quantum dynamics of the CH3 fragment: A curvilinear coordinate system and kinetic energy
operators
Chris Evenhuis, Gunnar Nyman, Uwe Manthe
The Journal of chemical physics - 2007-01-01 -
Crossed-beam and quantum dynamics studies of the reaction
Cl+CHD3
Gunnar Nyman, Kopin Liu
Israel Journal of Chemistry - 2007-01-01 -
Reduced Dimensionality Quantum Scattering Calculations on the F + CH4 FH + CH3
Reaction
Gunnar Nyman, J Espinosa-Garcia
The journal of physical chemistry. A - 2007-01-01 -
Theoretical investigation of linalool
oxidation.
Carina Bäcktorp, J R Tobias Johnsson Wass, Itai Panas, Maria Sköld, Anna Börje, Gunnar Nyman
The journal of physical chemistry. A - 2006-01-01 -
Feynman-Kleinert Linearized Path Integral (FK-LPI) Algorithms for Quantum Molecular Dynamics, with Application to Water and
He(4)
Jens Aage Poulsen, Gunnar Nyman, Peter J Rossky
Journal of Chemical Theory and Computation - 2006-01-01 -
HCl and DCl: A case study of different approaches for determining photo fractionation
constants
Mette Grage, Gunnar Nyman, Matt S. Johnson
Physical Chemistry Chemical Physics - 2006-01-01 -
Product angular distribution for the H+CD4 -> HD+CD3
reaction
C Rangel, J Sansón, J. C Corchado, J Espinosa-Garcia, Gunnar Nyman
Journal of Physical Chemistry A - 2006-01-01 -
Study of the carbon-13 and deuterium kinetic isotope effects in the Cl and OH reactions of CH4 and
CH3Cl.
Stig R Sellevåg, Gunnar Nyman, Claus J Nielsen
The journal of physical chemistry. A - 2006-01-01 -
Classical and quantum dynamics of the O+CN
reaction
Erik Abrahamsson, Stefan Andersson, Gunnar Nyman, Nikola Markovic
Chemical Physics - 2006-01-01 -
Structural determination of a transient isomer of CH2I2 by picosecond x-ray
diffraction
Jan Davidsson, Jens Aage Poulsen, Marco Cammarata, Panos Georgiou, Remco Wouts, Gergely Katona, Frida Jacobson, Anton Plech, Michael Wulff, Gunnar Nyman, Richard Neutze
Physical Review Letters - 2005-01-01 -
Grid-Technology for Chemical Reactions Calculation (Computational Science – ICCS
2005)
Gabriel Balint-Kurti, Alexander Bogdanov, Ashot S. Gevorkyan, Yuriy Gorbachev, Tigran Hakobyan, Gunnar Nyman, Irina Shoshmina, Elena Stankova
Lecture Notes in Computer Science, Vol 3516: Computational Science – ICCS 2005, 5th International Conference, Atlanta, GA, USA, May 22-25, 2005, Proceedings, Part III (V.S. Sunderam, G.D. van Albada, J. Dongarra, editors) - 2005-01-01 -
Direct dynamics study of ultrafast vibrational energy relaxation in ice
Ih.
Carina Bäcktorp, Jens Aage Poulsen, Gunnar Nyman
The journal of physical chemistry. A - 2005-01-01 -
Static and dynamic quantum effects in molecular liquids: a linearized path integral description of
water.
Jens Aage Poulsen, Gunnar Nyman, Peter J Rossky
Proceedings of the National Academy of Sciences of the United States of America - 2005-01-01 -
A new algorithm for 3D calculation of atom-diatom
reactions
Ashot Gervorkyan, Gabriel Balint-Kurti, Gunnar Nyman, Tigran Hakobyan
Proceedings of CSIT-2005 Conference, Yerevan, Armenia - 2005-01-01 -
A (2)A(2)<--X (2)B(1) absorption and Raman spectra of the OClO molecule: a three-dimensional time-dependent wave packet
study.
Zhigang Sun, Nanquan Lou, Gunnar Nyman
The Journal of chemical physics - 2005-01-01 -
Grid-Technology for Chemical Reactions
Calculation
Gabriel Balint-Kurti, Alexander Bogdanov, Ashot Gevorkyan, Yuriy Gorbachev, Tigran Hakobyan, Gunnar Nyman, Irina Shosmina, Elena Stankova
Lecture Notes in Computer Science, vol 3516 - 2005-01-01 -
Molecular dynamics and control following excitation with an ultra-short intense laser
pulse
Zhigang Sun, Nanquan Lou, Gunnar Nyman
Chemical Physics - 2005-01-01 -
Calculation of Vibrational Levels of Three-atomic Molecules in the Ground Rotational State on Example of
NO2
Dmitry S Bezrukov, Yu V Novakovskaya, Andreas Bäck, Gunnar Nyman
Lecture Series on Computer and Computational Sciences - 2005-01-01 -
Semiclassical calculation of quantum correlation
functions
Peter J Rossky, Jens Aage Poulsen, Gunnar Nyman
Abstracts of Papers of the American Chemical Society - 2004-01-01 -
Quantum diffusion in liquid para-hydrogen: An application of the Feymnan-Kleinert linearized path integral
approximation
Jens Aage Poulsen, Gunnar Nyman, Peter J Rossky
Journal of Physical Chemistry B - 2004-01-01 -
Determination of the Van Hove spectrum of liquid He(4): An application of the Feymnan-Kleinert linearized path integral
methodology
Jens Aage Poulsen, Gunnar Nyman, Peter J Rossky
Journal of Physical Chemistry A - 2004-01-01 -
Time-dependent wave packet split operator calculations on a three-dimensional Fourier grid in Radau coordinates applied to the OCIO photoelectron
spectrum
Z. G Sun, N. Q Lou, Gunnar Nyman
Journal of Physical Chemistry A - 2004-01-01 -
The Rotating Bond Umbrella model applied to atom-methane
reactions
Gunnar Nyman
Chemical Reaction Dynamics - 2004-01-01 -
Investigation of ergodic character of quantized vibrational
motion
Andreas Bäck, Sture Nordholm, Gunnar Nyman
Journal of Physical Chemistry A - 2004-01-01 -
Femtosecond pump-probe photodissociation of OClO: direct observation of the (2)A(1) state and the role of accidental multiphoton
resonance
Z. G Sun, N. Q Lou, Gunnar Nyman
Chemical Physics Letters - 2004-01-01 -
practical evaluation of condensed phase quantum correlation functions: A Feynman-Kleinert variational linearized path integral
method.
Jens Aage Poulsen, Gunnar Nyman, Peter J Rossky
journal of chemical physics - 2003-01-01 -
Wave Packet Study of Ultrafast Relaxation in Ice Ih and Liquid Water. Resonant Intermolecular Vibrational Energy
Transfer
Jens Aage Poulsen, Gunnar Nyman, Sture Nordholm
J. Phys. Chem A - 2003-01-01