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Journal of Chemical Physics, ISSN 0021-9606, 2014, Volume 141, Issue 16, p. 164113
The equation-of-motion coupled cluster method employing the complex absorbing potential has been used to investigate the low energy electron scattering by CO2.... 
COORDINATE METHOD | CROSS-SECTIONS | TEMPORARY ANIONS | EXCITATION-ENERGIES | STABILIZATION METHOD | CCSD METHOD | METASTABLE ANIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | GENERAL FORMALISM | CHEMISTRY, PHYSICAL | ELECTRON PROPAGATOR THEORY | RESONANCE STATES
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 06/2012, Volume 537, pp. 107 - 112
► The complex absorbing potential (CAP)/symmetry-adapted cluster-configuration interaction (SAC-CI) method was developed. ► The method was implemented in the... 
TEMPORARY ANIONS | WAVE-FUNCTION | STABILIZATION METHOD | COMPLEX ABSORBING POTENTIALS | COUPLED-CLUSTER METHOD | SHAPE RESONANCE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | GENERAL FORMALISM | CHEMISTRY, PHYSICAL | ELECTRON PROPAGATOR THEORY | GAUSSIAN-BASIS SETS | EXCITED-STATES
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 01/2015, Volume 17, Issue 6, pp. 4696 - 4700
The effect which deformation of the double bond in trans-cyclooctene (TCO), compared to cis-cyclooctene (CCO), has on its negative ion - and indirectly on the... 
Low energy | Spectroscopy | Anions | Orbitals | Deformation | Excitation spectra | Bonding | Cross sections
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 1/2015, Volume 17, Issue 6, pp. 4696 - 47
The effect which deformation of the double bond in trans -cyclooctene (TCO), compared to cis -cyclooctene (CCO), has on its negative ion - and indirectly on... 
ETHYLENE | VIBRATIONAL-EXCITATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | TEMPORARY NEGATIVE-IONS | ENERGIES | AFFINITIES | RESONANCES | COLLISIONS | MOLECULES
Journal Article
Wuli Huaxue Xuebao/ Acta Physico - Chimica Sinica, ISSN 1000-6818, 2018, Volume 34, Issue 3, pp. 263 - 269
In this work, the Fukui functions of the two P-2 resonance states of Be-, a P-2 resonance state of Mg-, and a D-2 resonance state of Ca- have been determined.... 
Fukui functions | Density functional theory | Complex rotation | Resonance states | Temporary anion states | CONFIGURATION-INTERACTION | SCATTERING RESONANCES | CHEMISTRY, PHYSICAL | ATOM | ELECTRONIC-STRUCTURE METHODS | WIDTHS | CHEMICAL-REACTIVITY | ENERGIES | AFFINITIES | GROUND-STATES | PROPAGATOR
Journal Article
Computational and Theoretical Chemistry, ISSN 2210-271X, 01/2016, Volume 1075, pp. 18 - 29
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 2002, Volume 4, Issue 12, pp. 2511 - 2516
Nitromethane is a prototypical example for a molecule that can bind an extra electron in two fundamentally different ways forming dipole-bound as well as... 
ELECTRON-ATTACHMENT | ENERGY EXTRAPOLATION | TEMPORARY ANIONS | RESONANCE | SPECTROSCOPY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | CI CALCULATIONS | BINDING | SCATTERING
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 07/2017, Volume 19, Issue 26, pp. 17233 - 17241
Ionising radiation in cells generates secondary low energy electrons (LEEs) which can induce biomolecular damage when incident upon a particular biomolecule.... 
Journal Article
JOURNAL OF CHEMICAL PHYSICS, ISSN 0021-9606, 10/2010, Volume 133, Issue 14
The electron kinetic energy dependence of the photoelectron spectra and angular distributions of I-center dot CH3X (X=Cl, Br, I) cluster anions are measured... 
BOUND EXCITED-STATES | VERTICAL ATTACHMENT ENERGIES | POLYATOMIC-MOLECULES | VIBRATIONAL-EXCITATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | TEMPORARY NEGATIVE-IONS | DISSOCIATIVE ATTACHMENT | FRANCK-CONDON FACTORS | CROSS-SECTION MEASUREMENTS | GAUSSIAN-BASIS SETS | METHYL-CHLORIDE
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 2017, Volume 19, Issue 26, pp. 17233 - 17241
Ionising radiation in cells generates secondary low energy electrons (LEEs) which can induce biomolecular damage when incident upon a particular biomolecule.... 
BASES | ATTACHMENT | DNA STRAND BREAKS | STABILIZATION GRAPHS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | TEMPORARY ANION STATES | RESONANCES | RADIATION | CURVES | DAMAGE | CHEMISTRY PROGRAM PACKAGE | Low energy | Anions | Forming | Biomolecules | Exposure | Electron energy | Uracil | Radiation damage
Journal Article
International Journal of Quantum Chemistry, ISSN 0020-7608, 2001, Volume 82, Issue 5, pp. 218 - 226
Journal Article
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY B, ISSN 1990-7931, 01/2014, Volume 8, Issue 1, pp. 22 - 29
By the example of the lowest resonance state of the H- system, two versions of the stabilization method are considered: with introduction of an external... 
PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | IONS | WIDTH | external potential | stabilization method | BODY PERTURBATION-THEORY | HYDROGEN | phase shift | VARIATIONAL METHOD | TEMPORARY ANIONS | resonance state | AUTOIONIZATION | ENERGIES | UNIFORMLY CHARGED SPHERE | SCATTERING
Journal Article
Annual Review of Physical Chemistry, ISSN 0066-426X, 5/2017, Volume 68, Issue 1, pp. 525 - 553
Journal Article
Computational and Theoretical Chemistry, ISSN 2210-271X, 10/2014, Volume 1046, pp. 99 - 106
The knowledge of excess electron binding mechanisms in biomolecules is very important for molecular-level understanding of DNA damage by low-energy electrons.... 
Density-function theory | Valence-bound anion | Low-energy electron | DNA damage | Electron attachment | Dipole-bound anion | ENERGY | CHEMISTRY, PHYSICAL | TEMPORARY ANION STATES | URACIL | STABILIZED KOOPMANS THEOREM | EXCITED-STATES | NUCLEIC-ACID BASES | DNA | PROTON-TRANSFER | BASIS-SET | AFFINITIES
Journal Article