Quantum chemical investigations on molecular clusters
A cluster is an aggregate of bound atoms or molecules, intermediate in size between a
molecule and a bulk solid. Clusters of a variety of molecules are receiving increasing …
molecule and a bulk solid. Clusters of a variety of molecules are receiving increasing …
Spontaneous electric fields in solid films: spontelectrics
When dipolar gases are condensed at sufficiently low temperature onto a solid surface, they
form films that may spontaneously exhibit electric fields in excess of 108 V/m. This effect …
form films that may spontaneously exhibit electric fields in excess of 108 V/m. This effect …
Ab Initio Calculations of the Interaction Potential of the N2O–N2O Dimer: Strength of the Intermolecular Interactions and Physical Insights
N2O, or nitrous oxide, is an important greenhouse gas with a significant impact on global
warming and climate change. To accurately model the behavior of N2O in the atmosphere …
warming and climate change. To accurately model the behavior of N2O in the atmosphere …
Spectroscopy of dimers, trimers and larger clusters of linear molecules
Rotationally resolved spectra of van der Waals clusters provide the most direct, precise and
unambiguous experimental probe of intermolecular potential energy surfaces, particularly in …
unambiguous experimental probe of intermolecular potential energy surfaces, particularly in …
Nitrous oxide dimer: A new potential energy surface and rovibrational spectrum of the nonpolar isomer
The spectrum of nitrous oxide dimer was investigated by constructing new potential energy
surfaces using coupled-cluster theory and solving the rovibrational Schrödinger equation …
surfaces using coupled-cluster theory and solving the rovibrational Schrödinger equation …
Comparative electron irradiations of amorphous and crystalline astrophysical ice analogues
DV Mifsud, PA Hailey, P Herczku, B Sulik… - Physical Chemistry …, 2022 - pubs.rsc.org
Laboratory studies of the radiation chemistry occurring in astrophysical ices have
demonstrated the dependence of this chemistry on a number of experimental parameters …
demonstrated the dependence of this chemistry on a number of experimental parameters …
Isotope effects in the infrared spectra of the polar and nonpolar isomers of N2O dimer
The rotationally resolved spectra of 15N15N16O dimer for the polar and nonpolar isomers
are studied in the region of the N–N stretching fundamental of the monomer (∼ 2150cm− 1) …
are studied in the region of the N–N stretching fundamental of the monomer (∼ 2150cm− 1) …
Spontaneous Dipole Alignment in Films of
Experimental data obtained using low energy electron beams are presented which show
that films of N 2 O, of several hundred monolayers (ML), spontaneously acquire a positive …
that films of N 2 O, of several hundred monolayers (ML), spontaneously acquire a positive …
Ab initio calculations of nitrogen oxide reactions: Formation of N2O2, N2O3, N2O4, N2O5, and N4O2 from NO, NO2, NO3, and N2O
ED Glendening, AM Halpern - The Journal of chemical physics, 2007 - pubs.aip.org
Ab initio calculations of nitrogen oxide reactions: Formation of N2O2, N2O3, N2O4,
N2O5, and N4O2 from NO, NO2, NO3, and N2O | The Journal of Chemical Physics …
N2O5, and N4O2 from NO, NO2, NO3, and N2O | The Journal of Chemical Physics …
Spectroscopic observation and structure of CS2 dimer
M Rezaei, J Norooz Oliaee… - The Journal of …, 2011 - pubs.aip.org
Infrared spectra of the CS 2 dimer are observed in the region of the CS 2 ν 3 fundamental
band (∼ 1535 cm− 1) using a tunable diode laser spectrometer. The weakly bound complex …
band (∼ 1535 cm− 1) using a tunable diode laser spectrometer. The weakly bound complex …