MOLECULAR KINETICS AND SPECTROSCOPY | |
THE GROUP OF MARTIN QUACK AT ETH ZURICH |
Overview
Spectra and Motion
Martin Quack
Research
Selected
Publications
Publications (Full List)
Conferences
PC I Thermodynamics
Studies in
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Selected Publications:1981 1982 1983 1984 1985 1986 1987 1988 1989 1990 1991 1993 1994 1995 1996 1997 1998 1999 2000 2001 2002 2003 2004 2005 2006 2007 2008 2009 2010 2011 2012 2013 2014 2015 2016
1. Resonance fluorescence of aniline vapour
2. Specific rate constants of
unimolecular processes
6. A spectroscopic determination of
the methyl radical recombination rate constant in shock waves
10. Unimolecular reactions and energy
transfer of highly excited molecules
12. Detailed symmetry selection rules
for reactive collisions
13. Theory of unimolecular reactions
induced by monochromatic infrared radiation
26. Statistical methods in scattering
28. Statistical mechanics and dynamics
of molecular fragmentation
30. Current aspects of unimolecular
reactions
35. Reaction dynamics and statistical
mechanics of the preparation of highly excited states by intense infrared
radiation
46. Time-dependent processes in
polyatomic molecules during and after intense infrared irradiation
48. On the mechanism of reversible
unimolecular reactions and the canonical ("high pressure") limit of the rate
coefficient at low pressures
49. On the possibility of
mode-selective IR-multiphoton excitation of ozone
50. Spectroscopy and dynamics of the
isolated CH chromophore in CD3H: experiment and theory
53. Tridiagonal Fermi resonance
structure in the IR spectrum of the excited CH-chromophore in CF3H
57. High resolution interferometric
infrared spectroscopy of CO2 and CH4 vapour at low temperatures near 10 K:
Collisional cooling in supersonic jets and nuclear spin symmetry
conservation
58. On the densities and numbers of
rovibronic states of a given symmetry species: Rigid and nonrigid molecules,
transition states and scattering channels
70. On the measurement of the parity
violating energy difference between enantiomers
74. Quantum-mechanical wavepacket
dynamics of the CH group in symmetric top X3CH compounds using effective
Hamiltonians from high-resolution spectroscopy
80. IR-laser photochemistry
90. High resolution interferometric
FTIR spectroscopy of (HF)2: analysis of a low frequency fundamental near 400
cm-1
93. Vibrational spectrum and potential
energy surface for the CH-chromophore in CHD3
96. High resolution interferometric
Fourier transform infrared absorption spectroscopy in supersonic free jet
expansions: carbon monoxide, nitric oxide, methane, ethyne, propyne, and
trifluoromethane
100. Structure and dynamics of chiral
molecules
105. Infrared laser chemistry and the
dynamics of molecular multiphoton excitation
110. IR-multiphoton excitation and
wavepacket motion of the harmonic and anharmonic oscillators: exact
solutions and quasiresonant approximation
115. Vibrational spectra of (HF)2, (HF)n
and their D-Isotopomers: Mode selective rearrangements and nonstatistical
unimolecular decay
122. Spectra and dynamics of coupled
vibrations in polyatomic molecules
128. Potential energy surfaces,
quasiadiabatic channels, rovibrational spectra and intreamolecular dynamics
of (HF)2 and its isotopomers from Quantum Monte Carlo calculations
132. The wave packet motion and
intramolecular vibrational redistribution in CHX3 molecules under
IR-multiphoton excitation.
142. Molecular quantum dynamics from
high resolution spectroscopy and laser chemistry
145. Evidence for the (HF)5 complex in
the HF stretching FTIR absorption of pulsed and continuous supersonic jet
expansions of hydrogen fluoride
149. Femtosecond quantum dynamics of
functional groups under coherent infrared multiphoton excitation as derived
from the analysis of high resolution spectra
156. Dipole moment function and
equilibrium structure of methane in an analytical, anharmonic 9-dimensional
potential surface related to experimental rotational constants and
transition moments by quantum Monte Carlo calculations
157. Overtone spectroscopy by
vibrationally assisted dissociation and photofragment ionization
158. On the measurement of CP-violating
energy differences in matter-antimatter enantiomers
161. Molecular femtosecond quantum
dynamics between less than yoctoseconds and more than days: Experiment and
theory
162. Is the stereomutation of methane
possible?
163. Infrared laser chemistry
166. Molecular infrared spectra and
molecular motion
167. On FTIR spectroscopy in
asynchronously pulsed supersonic free jet expansions and on the
interpretation of stretching spectra of HF clusters
172. Molecular spectroscopy and
molecular dynamics: Theory and Experiment
174. Rotational analysis of the
n1 band of
trichlorofluoromethane from high resolution Fourier transform and diode
laser spectra of supersonic jets and isotopically enriched samples
175. Dynamics of unimolecular reactions
induced by monochromatic infrared radiation: Experiment and theory for
CnFmXI → CnFmX+I
probed with hyperfine-, Doppler- and uncertainty limited time resolution of
iodine atom infrared absorption
179. Isotope selective overtone
spectroscopy of CHCl3 by vibrationally assisted dissociation and
photofragment ionization
181. Ab initio calculation of molecular energies including
parity violating interactions
189. Synthese, Struktur, hochauflösende
Spektroskopie und Mechanismus der Laserchemie von Fluoroxiran und 2,2
Dideuterofluoroxiran
Angew. Chemie 109,
136-140 (1997)
191. Intramolecular vibrational redistribution and
unimolecular reaction: Concepts and new results on the femtosecond dynamics
and statistics in CHFClBr Ber.
Bunsenges. Physik. Chem. 101, 311-328 (1997)
193. Combined high resolution infrared and microwave study of
bromochlorofluoromethane
195.
Infrared multiphoton
excitation, dissociation, and ionization of C60
196.
A critical analysis of
electronic density functionals for structural, energetic, dynamic and
magnetic properties of hydrogen fluoride clusters
205. HF dimer:
Empirically refined analytical potential energy and dipole hypersurfaces
from ab initio calculations
206. Ab initio
calculation of molecular energies including parity violating interactions
207. Isotopomer selective overtone spectroscopy by ionization
detected IR+UV double resonance of jet-cooled aniline
211. Global analytical potential hypersurfaces for large
amplitude nuclear motion and reaction in methane
213. Mode selective stereomutation tunnelling in hydrogen
peroxide isotopomers
217. A new six
dimensional analytical potential up to chemically significant energies for
the electronic ground state of hydrogen peroxide
218. Cw-cavity
ring-down infrared absorption spectroscopy in pulsed supersonic jets:
220.
Multi-configuration linear response approach to the calculation of parity
violating potentials in polyatomic molecules
222. Influence of parity violating weak nuclear potentials on
vibrational and rotational frequencies in chiral molecules
230. Electroweak quantum chemistry of alanine: Parity
violation in gas and condensed phases
243. Parity violation dominates the dynamics of chirality in
dichlorodisulfane
249.
High-resolution FTIR and cw-diode laser cavity ring-down spectroscopy of the
n2
+ 2n3
band of methane near 7510 cm-1 in slit jet expansions
and at room temperature
254. Nonlinear
intensity dependence in the infrared multiphoton excitation and dissociation
of methanol pre-excited to different energies
255. Tunneling
dynamics of the NH chromophore in NHD2 during and after coherent
infrared excitation
269.
Global analytical potential hypersurface for large amplitude nuclear
motion and reactions in methane. II. Characteristic properties of the
potential and comparison to other potentials and experimental information
273.
Femtosecond Intramolecular Dynamics After Near-IR Excitation of CH3I,
C2H5I, CF3CHFI, and C7H8
Molecules in the Gas Phase and in Solution.
274.
Doppler-limited FTIR spectrum of the ν3(a')/ ν8(a'')
Coriolis resonance dyad of CHClF2: Analysis and comparison with
ab initio calculations 276. Time and Time Reversal Symmetry in Quantum Chemical Kinetics; M. Quack, in "Fundamental World of Quantum Chemistry. A Tribute to the Memory of Per-Olov L öwdin", edited by E. J. Brändas and E. S. Kryachko, Vol. 3, pages 423 - 474 (Kluwer Academic Publishers, Dordrecht, 2004)
278.
Isotopic chirality and molecular parity violation
279.
High resolution Fourier transform spectroscopy of CH2D2
in the region 2350 - 2650 cm‑1: The bands
ν5
+
ν7,
2ν9,
ν3
+
ν4,
ν3
+
ν7,
and
ν5
+
ν9.
280.
Parity violation in chiral molecules
281.
Steps Towards Molecular Parity Violation in Axially Chiral Molecules:
(I) Theory for Allene and 1,3-Difluoroallene
283.
Isotope Selective Infrared Spectroscopy and Intramolecular Dynamics 285. Electroweak quantum chemistry and the dynamics of parity violation in chiral molecules. 286. Stereomutation tunneling switching dynamics and parity violation in chlorineperoxide Cl-O-O-Cl. 294. Mode selective tunneling dynamics observed by high resolution spectroscopy of the bending fundamentals of 14NH2D and 14ND2H. 297. Rovibrational analysis of the 2ν3, 3ν3 and ν1 bands of CHCl2F measured at 170 and 298 K by high-resolution FTIR spectroscopy. 300.
Quantities, Units and Symbols in physical chemistry, Third edition. 2007. 303. Stereomutation dynamics in hydrogen peroxide. 307. High-resolution spectroscopic studies and theory of parity violation in chiral molecules. 316. Global analysis of the high resolution infrared spectrum of methane 12CH4 in the region from 0 to 4800 cm-1. 319. High-resolution near infrared spectroscopy and vibrational dynamics of dideuteromethane (CH2D2). 321. Parity and Nuclear Spin Symmetry: Their Conservation and Violation in Intramolecular Dynamics 328. High Resolution Infrared
Spectroscopy and Global Vibrational Analysis for the CH3D and CHD3
Isotopomers of Methane 335. Fundamental Symmetries and
Symmetry Violations from High Resolution Spectroscopy 339. Synchrotron-based
highest resolution Fourier transform infrared spectroscopy of naphthalene (C10H8)
and indole (C8H7N) and application to astrophysical
problems 340. Frontiers in Spectroscopy (Concluding Paper to Faraday Discussion 150) 352. Reinvestigation of the ν2+2ν3 subband in the overtone icosad of 12CH4 using cavity ring-down (CRD) spectroscopy of a supersonic jet expansion 354. Molecular Parity Violation and Chirality: The Asymmetry of Life and the Symmetry Violations of Physics 357. Tunneling and tunneling switching dynamics in phenol (C6H5OH) and its isotopomers from high resolution FTIR spectroscopy with synchrotron radiation in the THz range and theory 360. Nuclear spin symmetry conservation and relaxation in water (1H216O) studied by Cavity Ring-Down (CRD) spectroscopy of supersonic jets 361. Global Analytical Potential Energy Surface for the Electronic Ground State of NH3 from High Level ab Initio Calculations 362. a) Error and Discovery: Why Repeating can be New 365. Analysis of the rovibrational spectrum of 13CH4 in the Octad range 372. The Concept of Law and Models in Chemistry 374. On Biomolecular Homochirality as a Quasi-Fossil of the Evolution of Life 376. Survey of the High Resolution Infrared Spectrum of Methane (12CH4 and 13CH4): Partial Vibrational Assignment Extended Towards 12000 cm-1 380. Computation of Molecular Parity Violation Using the Coupled Cluster Linear Response Approach 381. High-resolution rovibrational spectroscopy of fluorobenzene, C6H5F: analysis of the
B1 fundamentals ν4, ν10b, ν17b, the B2 fundamental ν15 and assignment of the A1 levels
ν12, 2ν16a and 2ν18b 383. Synchrotron based highest resolution FTIR spectroscopy of chlorobenzene 386. Tunneling and Parity Violation in Trisulfane (HSSSH): An Almost Ideal Molecule for Detecting Parity Violation in Chiral Molecules 387. Wavepacket Dynamics of the Axially Chiral Molecule Cl-O-O-Cl under Coherent Radiative Excitation and Including Parity Violation 389. Infrared laser induced population transfer and parity selection in 14NH3: A proof of principle experiment towards detecting parity violation in chiral molecules
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