Journal of Physical Organic Chemistry, Volume 39, Issue 4, April 2026.New calculations have been applied to the pyrolysis of pyrrole under shock‐tube conditions and to the radical‐radical reaction between allyl and •CN at low temperature and pressure, using the same mechanistic scheme for both. ABSTRACT The pyrolysis of pyrrole has previously been studied in shock‐tube experiments and in jet‐stirred reactors. The results
Barry K. Carpenter
wiley +1 more source
Unexpected {Pu60} Cage Cluster Units in New Plutonium(VI) Oxido‐Hydroxides
Angewandte Chemie Novit, Volume 2, Issue 1, March 2026.Plutonium(VI) hydrolysis in strongly alkaline NaCl‐NaOH solutions yields needle‐ and platelet‐like crystals. They are built from unprecedented spherical [(PuO2)60O20(OH)120]40− cages that adopt a truncated dodecahedral (Archimedean) topology. Each {Pu60} cage contains 20 identical trimeric subunits, which self‐assemble from Pu(VI) solution trimers ...
David Fellhauer +10 more
wiley +1 more source
High-Resolution Photoelectron Spectroscopy and ab initio Quantum Chemistry
CHIMIA, 2004 The resolution that can be achieved by photoelectron spectroscopy has been continually improved over the past 50 years and is now sufficiently high for the rovibronic energy level structure of polyatomic molecular cations to be measured accurately ...
Stefan Willitsch +2 more
doaj +1 more source
The Relation Between the Internuclear Distances and Force Constants of Molecules and Its Application to Polyatomic Molecules [PDF]
, 1935 The relation between the internuclear distances and force constants found for diatomic molecules is discussed, and is shown to carry over to polyatomic molecules.
Badger, Richard M.
core
Structure and Properties of Simple and Aggregate Systems by Circular Dichroism Spectroscopy
, 2013 This thesis deals with the investigation of structural properties of many different systems via Electronic Circular Dichroism (ECD). The interpretation of experimental data has been carried out mainly with quantum-chemistry methods, such as Density ...
PADULA, DANIELE
core
Optical cycling in polyatomic molecules with complex hyperfine structure
, 2023 We have developed and demonstrated a scheme to achieve rotationally-closed photon cycling in polyatomic molecules with complex hyperfine structure and sensitivity to hadronic symmetry violation, specifically $^{171}$YbOH and $^{173}$YbOH.
Hutzler, Nicholas R. +5 more
core +1 more source
Vibronic Interaction in Linear Polyatomic Molecules
, 1969 This thesis deals with the weak interaction between the electronic and degenerate vibrational motions in linear polyatomic molecules. Second-order vibronic energy expressions are obtained for triatomic and tetratomic molecules in degenerate electronic ...
Kam, Kui-Ting
core
Structural and electronic trends of optical cycling centers in polyatomic molecules revealed by microwave spectroscopy of MgCCH, CaCCH, and SrCCH. [PDF]
Proc Natl Acad Sci U S A, 2023 Changala PB +5 more
europepmc +1 more source
Many-body theory of positron binding to polyatomic molecules. [PDF]
Nature, 2022 Hofierka J +4 more
europepmc +1 more source
Vibrational relaxation of excited and highly excited polyatomic molecules.
, 1988 Vibrational relaxation of excited and highly excited polyatomic ...
Kenneth Michael. Beck (7958318)
core