Author Institution: Optical Technology Division, National Institute of Standards and Technology, Gaithersburg, MD 20899-8441Because of extensive electron correlation, the ground-state structures, infrared spectra, and chemical bonding properties of a number of tetratomic molecules which possess 23 valence electrons are anomalous. Approaches which have recently been helpful in understanding this phenomenon include {\ital{ab initio}} calculations and spectroscopic observations of these species trapped in solid neon at temperatures near 4 K. Molecules for which infrared spectra have been obtained and which will be discussed include NO$_3$, NNO${_2}$ anion, BF${_3}$ cation, and O${_4}$ cation
Conventional ͑valence͒ and dipole-bound anions of the nitromethane molecule are studied using negati...
Heptacovalent bonding, in which seven atoms are bonded to a central atom, is known for substances wh...
[eng] Quantum calculations at the DFT-D3/def2-TZVPD level of theory have been used to examine comple...
Author Institution: Optical Technology Division, National Institute of Standards and Technology, Gai...
1. Maciej Gutowski, Piotr Skurski, Kenneth D. Jordan, Jack Simons; Int J. Quant. Chem.; 64, 183 (199...
$^{1}$ R. J. Van Zee and W. Weltner, Jr., High Teap. Science 17, 181 (1984), Ches. Phys. Lett. 150, ...
New studies of the infrared spectra of the products which result on codeposition at approximately 5 ...
The nitrate anion, NO3−, is often regarded as a textbook example for the very fundamental concept of...
Vishnevskiy Y, Tikhonov DS, Schwabedissen J, et al. Tetranitromethane: A Nightmare of Molecular Flex...
Linear triatomic molecules (CO2, N2O, and OCS) are scrutinized for their propensity to form perpendi...
Isomers of (NO)3− are characterized by means of B3LYP density functional theory and the wavefunction...
Author Institution: Department of Chemistry, The University of AkronThe weakly-bound nitric oxide di...
The electronic structure and optical properties of a gas-phase PETN molecule, an ideal PETN crystal,...
$^{1}$ R. J. Van Zee and W. Weltner, Jr., High Temperature Science 17, 181 (1984). $^{2}$ I. Shim an...
This thesis presents briefly the application of quantum mechanics on systems ofchemical interest, i....
Conventional ͑valence͒ and dipole-bound anions of the nitromethane molecule are studied using negati...
Heptacovalent bonding, in which seven atoms are bonded to a central atom, is known for substances wh...
[eng] Quantum calculations at the DFT-D3/def2-TZVPD level of theory have been used to examine comple...
Author Institution: Optical Technology Division, National Institute of Standards and Technology, Gai...
1. Maciej Gutowski, Piotr Skurski, Kenneth D. Jordan, Jack Simons; Int J. Quant. Chem.; 64, 183 (199...
$^{1}$ R. J. Van Zee and W. Weltner, Jr., High Teap. Science 17, 181 (1984), Ches. Phys. Lett. 150, ...
New studies of the infrared spectra of the products which result on codeposition at approximately 5 ...
The nitrate anion, NO3−, is often regarded as a textbook example for the very fundamental concept of...
Vishnevskiy Y, Tikhonov DS, Schwabedissen J, et al. Tetranitromethane: A Nightmare of Molecular Flex...
Linear triatomic molecules (CO2, N2O, and OCS) are scrutinized for their propensity to form perpendi...
Isomers of (NO)3− are characterized by means of B3LYP density functional theory and the wavefunction...
Author Institution: Department of Chemistry, The University of AkronThe weakly-bound nitric oxide di...
The electronic structure and optical properties of a gas-phase PETN molecule, an ideal PETN crystal,...
$^{1}$ R. J. Van Zee and W. Weltner, Jr., High Temperature Science 17, 181 (1984). $^{2}$ I. Shim an...
This thesis presents briefly the application of quantum mechanics on systems ofchemical interest, i....
Conventional ͑valence͒ and dipole-bound anions of the nitromethane molecule are studied using negati...
Heptacovalent bonding, in which seven atoms are bonded to a central atom, is known for substances wh...
[eng] Quantum calculations at the DFT-D3/def2-TZVPD level of theory have been used to examine comple...