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2011, Structure and bonding, ISBN 3642211496, Volume 139., xi, 164
Book
1979, 3d ed. --, ISBN 9780721666990, xi, 383
Book
Biophysical Journal, ISSN 0006-3495, 02/2019, Volume 116, Issue 3, p. 11
Journal Article
Nature communications, ISSN 2041-1723, 06/2019, Volume 10, Issue 1, pp. 2758 - 1
An amendment to this paper has been published and can be accessed via a link at the top of the paper. 
Carbon dioxide
Journal Article
Nature Communications, ISSN 2041-1723, 12/2019, Volume 10, Issue 1, pp. 2294 - 7
The intramolecular conversion of CO2 to molecular oxygen is an exotic reaction, rarely observed even with extreme optical or electronic excitation means. Here... 
DISSOCIATIVE ELECTRON-ATTACHMENT | O-2 | MULTIDISCIPLINARY SCIENCES | CO2 | CHARGE-TRANSFER | ATMOSPHERE | MOLECULAR-OXYGEN | COMA | Ion charge | First principles | Surface charge | Transformation | Oxygen | Solid surfaces | Terrestrial environments | Carbon dioxide | Atomic oxygen | Catalysis | Charge transfer | Intermediates
Journal Article
SCIENCE, ISSN 0036-8075, 04/2019, Volume 364, Issue 6438, pp. 379 - 379
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 10/2019, Volume 151, Issue 13, p. 134107
We extend the coupled-cluster method to correlated quantum dynamics of both closed and open systems at finite temperatures using the thermofield formalism. The... 
Time dependence | Correlation | Temperature | Energy dissipation | Dynamics | Open systems | Clusters | Density | Formalism
Journal Article
Accounts of chemical research, ISSN 0001-4842, 04/2019
Complex chemical systems present challenges to electronic structure theory stemming from large system sizes, subtle interactions, coupled dynamical time... 
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 09/2019, Volume 151, Issue 12, p. 124103
Path-integral-based molecular dynamics (MD) simulations are widely used for the calculation of numerically exact quantum Boltzmann properties and approximate... 
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 11/2015, Volume 17, Issue 46, pp. 3914 - 3924
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 09/2019, Volume 151, Issue 12
Path-integral-based molecular dynamics (MD) simulations are widely used for thecalculation of numerically exact quantum Boltzmann properties and approximate... 
Artifacts | Numerical integration | Computer simulation | Mathematical analysis | Integrals | Molecular dynamics | Evolution | Polymers | Equations of motion | Beads | Numerical stability | Motion stability
Journal Article
Review of Scientific Instruments, ISSN 0034-6748, 2007, Volume 78, Issue 3, p. 031101
Journal Article
1970, 2D ed., rev. and enl., 351
Book
JOURNAL OF PHYSICAL CHEMISTRY A, ISSN 1089-5639, 04/2019, Volume 123, Issue 13, pp. 3013 - 3020
Employing the recently developed isomorphic Hamiltonian framework for including nuclear quantum effects in mixed quantum-classical nonadiabatic dynamics, we... 
STATISTICAL-MECHANICS | HYDROGEN | CHEMICAL-REACTION RATES | RATE CONSTANTS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | QUANTUM DIFFUSION | CHEMISTRY, PHYSICAL | MOLECULAR-DYNAMICS THEORY
Journal Article
Biophysical Journal, ISSN 0006-3495, 02/2016, Volume 110, Issue 3, pp. 350a - 350a
Journal Article
Addiction, ISSN 0965-2140, 03/2014, Volume 109, Issue 3, pp. 341 - 344
Journal Article
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