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Environmental Earth Sciences, ISSN 1866-6280, 9/2017, Volume 76, Issue 17, pp. 1 - 12
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 01/2017, Volume 668, pp. 23 - 28
Journal Article
Computational and Theoretical Chemistry, ISSN 2210-271X, 10/2017, Volume 1117, p. 241
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 10/2017, Volume 685, p. 395
To access, purchase, authenticate, or subscribe to the full-text of this article, please visit this link: http://dx.doi.org/10.1016/j.cplett.2017.07.074 The... 
Analysis | Density functionals | Raman spectroscopy
Journal Article
Computational and Theoretical Chemistry, ISSN 2210-271X, 09/2015, Volume 1067, p. 135
Display Omitted 
Journal Article
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY, ISSN 0035-8711, 07/2017, Volume 469, Issue 1, pp. 612 - 620
We present a detailed theoretical study of the rotational excitation of CH+ due to reactive and non-reactive collisions involving C+(P-2), H-2, CH+, H and free... 
DISSOCIATIVE RECOMBINATION | radiative transfer | VIBRATIONALLY EXCITED H-2 | BAR PHOTODISSOCIATION REGION | PDR SURFACE | CROSS-SECTION | LOW-TEMPERATURE | line: formation | NGC 7027 | molecular data | REACTIVE COLLISIONS | ISM: molecules | ASTRONOMY & ASTROPHYSICS | ORION BAR | molecular processes | H-ATOMS | astrochemistry | Physics
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 02/2013, Volume 9, Issue 2, pp. 1173 - 1181
pK a’s, proton affinities, and proton dissociation free energies characterize numerous properties of drugs and the antioxidant activity of some chemical... 
DENSITY FUNCTIONALS | WATER CLUSTERS | (CH3OH)(N) | PK(A) CALCULATIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | PREDICTIONS | ION | INFRARED-SPECTROSCOPY | BASIS-SET | HYDRATION | CARBOXYLIC-ACIDS
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 05/2013, Volume 138, Issue 18, p. 184301
The accurate evaluation of pK(a)'s, or solvation energies of the proton in methanol at a given temperature is subject to the determination of the most favored... 
DENSITY FUNCTIONALS | WATER CLUSTERS | PK(A) CALCULATIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | PREDICTIONS | INFRARED-SPECTROSCOPY | BASIS-SET | FREE-ENERGY | SOLVATION | HYDRATION | CARBOXYLIC-ACIDS | Protons | Quantum Theory | Temperature | Molecular Structure | Methanol - chemistry | Phases | Solvation | Populations | Methyl alcohol | Clusters | Trends | Isomers | Gas phases
Journal Article
Journal of Geophysical Research: Atmospheres, ISSN 2169-897X, 04/2014, Volume 119, Issue 7, pp. 4286 - 4302
We calculated the photolysis rate coefficients of five ozone isotopologues/isotopomers as functions of altitude up to 80 km using recent ab initio absorption... 
ozone isotopologues | ozone fractionation | ozone photolysis | OXYGEN | ENRICHMENTS | HARTLEY | ISOTOPIC FRACTIONATION | HUGGINS | METEOROLOGY & ATMOSPHERIC SCIENCES | PHOTODISSOCIATION | Isotopes | Distillation | Bands | Photolysis | Electronics | Ozone | Mathematical models | Channels | Altitude | or physical chemistry | Chemical Sciences | Theoretical and
Journal Article
Journal Article
Journal of Physics B: Atomic, Molecular and Optical Physics, ISSN 0953-4075, 05/2017, Volume 50, Issue 11
Journal Article
Computational and Theoretical Chemistry, ISSN 2210-271X, 2011, Volume 966, Issue 1, pp. 232 - 243
Journal Article
JOURNAL OF PHYSICAL CHEMISTRY A, ISSN 1089-5639, 12/2019, Volume 123, Issue 48, pp. 10437 - 10445
The accurate assessment of radiative forcing efficiency (RFE) of a greenhouse gas is based on the precise knowledge of its structure and infrared absorption... 
ATMOSPHERIC CHEMISTRY | CROSS-SECTIONS | CL ATOMS | GLOBAL WARMING POTENTIALS | KINETICS | INFRARED-ABSORPTION SPECTRA | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | OH-RADICALS | CHEMISTRY, PHYSICAL | REACTION-RATE COEFFICIENTS | DENSITY-FUNCTIONAL THEORY | GAS-PHASE REACTIONS
Journal Article
Plasma Sources Science and Technology, ISSN 0963-0252, 09/2016, Volume 25, Issue 5, p. 55022
The latest molecular data-potential energy curves and Rydberg-valence interactions-characterising the super-excited electronic states of BF are reviewed in... 
molecular cations | plasma immersion ion implantation | excited states | non-equilibrium plasma | electron impact vibrational excitation | multichannel quantum defect theory | dissociative recombination | QUANTUM-DEFECT THEORY | NO | MATRIX | PHYSICS, FLUIDS & PLASMAS | IONS | IMPACT | SLOW-ELECTRONS | PLASMA | H-3(+) | HD | RYDBERG STATES | Mechanics | Mechanics of the fluids | Physics
Journal Article
Monthly Notices of the Royal Astronomical Society, ISSN 0035-8711, 2016, Volume 455, Issue 1, pp. 276 - 281
A new series of computations has been performed to obtain cross-sections and rate coefficients for state-to-state rotational transitions in the H-2(+) ion,... 
ISM | Abundances | Molecular processes | Scattering | QUANTUM-DEFECT THEORY | HYDROGEN | POPULATION | STATES | EXCITATION | ASTRONOMY & ASTROPHYSICS | ISM: abundances | MOLECULAR-IONS
Journal Article