The hidden kernel of molecular quasi-linearity: Quantum monodromy
M Winnewisser, BP Winnewisser, IR Medvedev… - Journal of molecular …, 2006 - Elsevier
Chain molecules with one low-lying bending mode provide a set of model species for the
exploration of quantum monodromy in quasi-linear molecules. Recent work on water [NF …
exploration of quantum monodromy in quasi-linear molecules. Recent work on water [NF …
Toward an understanding of the furoxan− dinitrosoethylene equilibrium
J Stevens, M Schweizer, G Rauhut - Journal of the American …, 2001 - ACS Publications
The tautomerism of furoxan (1, 2, 5-oxadiazole-2-oxide) has been investigated by different
computational methods comprising modern density functionals as well as single-reference …
computational methods comprising modern density functionals as well as single-reference …
Dimerisation of nitrile oxides: a quantum-chemical study
T Pasinszki, B Hajgató, B Havasi… - Physical Chemistry …, 2009 - pubs.rsc.org
The [3+ 2] and [3+ 3] cyclodimerisation processes of small nitrile oxides, XCNO (X= F, Cl, Br,
CN, CH3) are investigated by ab initio coupled cluster theory at the CCSD, CCSD (T) and …
CN, CH3) are investigated by ab initio coupled cluster theory at the CCSD, CCSD (T) and …
Fulminic Acid: A Quasibent Spectacle
AM Allen, LN Olive, PAG Franco, SR Barua… - Physical Chemistry …, 2024 - pubs.rsc.org
Fulminic acid (HCNO) played a critical role in the early development of organic chemistry,
and chemists have sought to discern the structure and characteristics of this molecule and its …
and chemists have sought to discern the structure and characteristics of this molecule and its …
Synthesis, Spectroscopy and Structure of the Parent Furoxan (HCNO)2
T Pasinszki, B Havasi, B Hajgató… - The Journal of …, 2009 - ACS Publications
The parent furoxan (1, 2, 5-oxadiazole 2-oxide), synthesized from glyoxime and NO2 (g),
has been investigated in the gas phase for the first time by mid-infrared and He I …
has been investigated in the gas phase for the first time by mid-infrared and He I …
Nitrile oxides
LI Belen'Kii - Nitrile oxides, nitrones, and nitronates in organic …, 2007 - Wiley Online Library
The chemistry of nitrile oxides is well documented. Several important monographs either
specially devoted to nitrile oxides or including corresponding comprehensive chapters …
specially devoted to nitrile oxides or including corresponding comprehensive chapters …
Gas-Phase Spectroscopy of the Unstable Acetonitrile N-Oxide Molecule, CH3CNO
T Pasinszki, NPC Westwood - The Journal of Physical Chemistry …, 2001 - ACS Publications
The unstable acetonitrile N-oxide molecule, CH3CNO, has been thermolytically generated
in very high yield in the gas phase from its stable ring dimer, dimethylfuroxan, and studied by …
in very high yield in the gas phase from its stable ring dimer, dimethylfuroxan, and studied by …
Cyanogen Di-N-oxide (ONCCNO): Gas Phase Generation and a HeI Photoelectron, Photoionization Mass Spectroscopy, Midinfrared, and Ab Initio Study
T Pasinszki, NPC Westwood - Journal of the American Chemical …, 1995 - ACS Publications
The cyanogen di-A-oxide molecule (ONCCNO) has been generated in high yield from in situ
flow pyrolysis reactions of gaseous dichloroglyoxime or dibromofuroxan precursors and …
flow pyrolysis reactions of gaseous dichloroglyoxime or dibromofuroxan precursors and …
Ground, Excited, and Ionic States of the NCCNO Molecule: A HeI Photoelectron, Infrared, Ultraviolet, and ab Initio Investigation
T Pasinszki, NPC Westwood - The Journal of Physical Chemistry, 1996 - ACS Publications
The cyanogen N-oxide molecule NCCNO was recently identified for the first time in the gas
phase. In the present work, NCCNO, generated from its stable ring dimer dicyanofuroxan by …
phase. In the present work, NCCNO, generated from its stable ring dimer dicyanofuroxan by …
Gas-Phase Infrared and ab Initio Study of the Unstable CF3CNO Molecule and Its Stable Furoxan Ring Dimer
B Havasi, T Pasinszki… - The Journal of Physical …, 2005 - ACS Publications
The unstable trifluoroacetonitrile N-oxide molecule, CF3CNO, has been generated in high
yield in the gas phase from CF3BrC NOH and studied for the first time by gas-phase mid …
yield in the gas phase from CF3BrC NOH and studied for the first time by gas-phase mid …