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Journal of Computer-Aided Molecular Design, ISSN 0920-654X, 4/2014, Volume 28, Issue 4, pp. 375 - 400
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 10/2018, Volume 149, Issue 13, p. 131101
This work shows that vertical excitation energies (characterized as single-electron processes) can be expressed in terms of one-particle solutions from a... 
CHEMISTRY | CHEMISTRY, PHYSICAL | BASIS-SETS | DENSITY-FUNCTIONAL THEORY | EXCHANGE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | Correlation | Eigenvalues | Ionization potentials | Density functional theory | Excitation | Quantum theory | Eigen values | Electrons
Journal Article
Nuclear Inst. and Methods in Physics Research, B, ISSN 0168-583X, 03/2019, Volume 443, Issue C, pp. 1 - 4
The degradation of proton beam energy within a target stack was monitored via product nuclide ratios at the Los Alamos Isotope Production Facility (LANL-IPF).... 
Co-57 | Proton beam | Beam energy | Monitor reactions | Ni-57 | CROSS-SECTIONS | BULK PRODUCTION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | PHYSICS, NUCLEAR | EXCITATION-FUNCTIONS | INSTRUMENTS & INSTRUMENTATION | NUCLEAR SCIENCE & TECHNOLOGY | TARGETS | INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND TECHNOLOGY
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 01/2015, Volume 119, Issue 3, pp. 468 - 481
Journal Article
Physical Review C - Nuclear Physics, ISSN 0556-2813, 09/2008, Volume 78, Issue 3
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 12/2016, Volume 138, Issue 49, pp. 15972 - 15979
The stringent distance dependence of Forster resonance energy transfer (FRET) has limited the ability of an energy donor to donate excitation energy to an... 
EXCITATION | UPCONVERTING NANOPARTICLES | LUMINESCENCE | DRUG-DELIVERY | EMISSIONS | IN-VIVO | SURFACE | NANOMATERIALS | UP-CONVERSION NANOPARTICLES | FRET | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
Physical Review C - Nuclear Physics, ISSN 0556-2813, 11/2015, Volume 92, Issue 5
We estimate the range of the radiative lifetime and energy of the anomalous, low-energy 3/2(+)(7.8 +/- 0.5 eV) state in the Th-229 nucleus. Our... 
TRANSITION | EV | EXCITED-STATE | LASER SPECTROSCOPY | TH-229M(3/2(+) | PHYSICS, NUCLEAR | NUCLEAR-DATA SHEETS | EMISSION | RESONANT EXCITATION | ALPHA-DECAY
Journal Article
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, ISSN 1549-9618, 10/2019, Volume 15, Issue 10, pp. 5523 - 5531
Benchmark calculations with the Spin-Component-Scaled CC2 variants SCS-CC2 and SOS-CC2 are presented for the electronically excited valence and Rydberg states... 
ADC | BENCHMARKS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | SINGLES | CHEMISTRY, PHYSICAL | BASIS-SETS | GRADIENTS | CCSDR | VALENCE | COUPLED-CLUSTER THEORY | ELECTRONICALLY EXCITED-STATES | Potential energy | Alternative energy sources | Excitation | Rydberg states
Journal Article
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 10/2013, Volume 117, Issue 42, pp. 12972 - 12978
The tensor hypercontraction (THC) formalism is applied to equation-of-motion second-order approximate coupled cluster singles and doubles (EOM-CC2). The... 
CC2 | RESOLUTION | SINGLES | CHEMISTRY, PHYSICAL | DOUBLES MODEL | BASIS-SETS | IDENTITY APPROXIMATION | Excitation (Physiology) | Oxides | Nitrogen | Analysis | Electric properties
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 04/2017, Volume 121, Issue 14, pp. 2773 - 2779
The Polanyi rules on the energy efficiency on reactivity are summarized solely from the locations of barriers on the potential energy surfaces. Here, our... 
WAVE-PACKET | TRANSLATIONAL ENERGY | MODE SPECIFICITY | VIBRATIONAL-EXCITATION | ATOMISTIC MECHANISMS | BOND SELECTIVITY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | SIMULATIONS | S(N)2 NUCLEOPHILIC-SUBSTITUTION | REACTIVE SCATTERING | POLANYI RULES
Journal Article