Predissociation measurements of bond dissociation energies: VC, VN, and VS (English)
- New search for: Johnson, Eric L.
- New search for: Davis, Quincy C.
- New search for: Morse, Michael D.
- New search for: Johnson, Eric L.
- New search for: Davis, Quincy C.
- New search for: Morse, Michael D.
In:
The Journal of Chemical Physics
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144
, 23
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9
;
2016
- Article (Journal) / Electronic Resource
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Title:Predissociation measurements of bond dissociation energies: VC, VN, and VS
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Contributors:
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Published in:The Journal of Chemical Physics ; 144, 23 ; 9
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Publisher:
- New search for: AIP Publishing LLC
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Publication date:2016-06-21
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Size:9 pages
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ISSN:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Keywords:
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Source:
Table of contents – Volume 144, Issue 23
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
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Electric multipole moments calculation with explicitly correlated coupled-cluster wavefunctionsBokhan, Denis / Trubnikov, Dmitrii N. / Bartlett, Rodney J. et al. | 2016
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Solvent effects on the absorption spectrum and first hyperpolarizability of keto-enol tautomeric forms of anil derivatives: A Monte Carlo/quantum mechanics studyAdriano Junior, L. / Fonseca, T. L. / Castro, M. A. et al. | 2016
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Stochastic lag time in nucleated linear self-assemblyTiwari, Nitin S. / van der Schoot, Paul et al. | 2016
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Rotationally resolved vibrational spectra of : Tunneling splittings studied by zero-kinetic-energy photoelectron spectroscopySun, Wei / Dai, Zuyang / Wang, Jia / Mo, Yuxiang et al. | 2016
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Generalized flexibility-rigidity indexNguyen, Duc Duy / Xia, Kelin / Wei, Guo-Wei et al. | 2016
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A quasiclassical trajectory study of the N2(X1Σ) + O(3P) → NO(X2Π) + N(4S) reactionLin, Wei / Meana-Pañeda, Rubén / Varga, Zoltan / Truhlar, Donald G. et al. | 2016
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Effective short-range Coulomb correction to model the aggregation behavior of ionic surfactantsBurgos-Mármol, J. Javier / Solans, Conxita / Patti, Alessandro et al. | 2016
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A state interaction spin-orbit coupling density matrix renormalization group methodSayfutyarova, Elvira R. / Chan, Garnet Kin-Lic et al. | 2016
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The order of three lowest-energy states of the six-electron harmonium at small force constantStrasburger, Krzysztof et al. | 2016
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Predissociation measurements of bond dissociation energies: VC, VN, and VSJohnson, Eric L. / Davis, Quincy C. / Morse, Michael D. et al. | 2016
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HOCCO versus OCCO: Comparative spectroscopy of the radical and diradical reactive intermediatesDixon, Andrew R. / Xue, Tian / Sanov, Andrei et al. | 2016
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Quantum and quasi-classical collisional dynamics of O2–Ar at high temperaturesUlusoy, Inga S. / Andrienko, Daniil A. / Boyd, Iain D. / Hernandez, Rigoberto et al. | 2016
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New structural and electronic properties of (TiO2)10Aguilera-Granja, F. / Vega, A. / Balbás, L. C. et al. | 2016
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Communication: Studies of the Lennard-Jones fluid in 2, 3, and 4 dimensions highlight the need for a liquid-state 1/d expansionCostigliola, Lorenzo / Schrøder, Thomas B. / Dyre, Jeppe C. et al. | 2016
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Initial mechanisms for the unimolecular decomposition of electronically excited nitrogen-rich energetic materials with tetrazole rings: 1-DTE, 5-DTE, BTA, and BTHYuan, Bing / Bernstein, Elliot R. et al. | 2016
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Photophysics of α-furil at room temperature and 77 K: Spectroscopic and quantum chemical studiesKundu, Pronab / Chattopadhyay, Nitin et al. | 2016
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The inherent dynamics of isotropic- and nematic-phase liquid crystalsFrechette, Layne / Stratt, Richard M. et al. | 2016
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Non-adiabatic dynamics around a conical intersection with surface-hopping coupled coherent statesHumeniuk, Alexander / Mitrić, Roland et al. | 2016
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Universal scaling in the aging of the strong glass former SiO2Vollmayr-Lee, Katharina / Gorman, Christopher H. / Castillo, Horacio E. et al. | 2016
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Corresponding-states behavior of an ionic model fluid with variable dispersion interactionsWeiss, Volker C. et al. | 2016
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Labyrinthine water flow across multilayer graphene-based membranes: Molecular dynamics versus continuum predictionsYoshida, Hiroaki / Bocquet, Lydéric et al. | 2016
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Handshake electron transfer from hydrogen Rydberg atoms incident at a series of metallic thin filmsGibbard, J. A. / Softley, T. P. et al. | 2016
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Orientation correlation and local field in liquid nitrobenzeneShelton, David P. et al. | 2016
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Tripartite entanglement dynamics of vibrations in triatomic moleculesZhai, Liangjun / Zheng, Yujun / 翟良君 / 郑雨军 et al. | 2016
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A new interpretation of the meaning of the center of line slope from a two-dimensional infrared spectrumFalvo, Cyril et al. | 2016
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An experimental and theoretical study of the – band system of the jet-cooled HBBr/DBBr free radicalGharaibeh, Mohammed / Clouthier, Dennis J. / Tarroni, Riccardo et al. | 2016
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Optical studies of the uniaxial stress-induced orbital alignment of the Cr2+ centers in KZnF3 single crystalNikitin, S. I. / Gracheva, I. N. / Zverev, D. G. / Yusupov, R. V. et al. | 2016
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Revisiting the symmetry breaking in the state of BNBKalemos, Apostolos et al. | 2016
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Analytic solution of two-density integral equations for sticky Janus dumbbells with arbitrary monomer diametersGazzillo, Domenico / Munaò, Gianmarco / Prestipino, Santi et al. | 2016
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Relationship between the line of density anomaly and the lines of melting, crystallization, cavitation, and liquid spinodal in coarse-grained water modelsLu, Jibao / Chakravarty, Charusita / Molinero, Valeria et al. | 2016
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An atomic orbital based real-time time-dependent density functional theory for computing electronic circular dichroism band spectraGoings, Joshua J. / Li, Xiaosong et al. | 2016
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Critical role of morphology on the dielectric constant of semicrystalline polyolefinsMisra, Mayank / Mannodi-Kanakkithodi, Arun / Chung, T. C. / Ramprasad, Rampi / Kumar, Sanat K. et al. | 2016
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Changes in the temperature-dependent specific volume of supported polystyrene films with film thicknessHuang, Xinru / Roth, Connie B. et al. | 2016
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Density-wave-modulated crystallization in nanoscale silicon films and dropletsLü, Yongjun / Bi, Qingling / Yan, Xinqing et al. | 2016
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Optical properties of group-3 metal hexaboride nanoparticles by first-principles calculationsYoshio, Satoshi / Maki, Koichiro / Adachi, Kenji et al. | 2016
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Molecular dynamics simulation of electric-field-induced self-assembly of diblock copolymersZhang, Qiuzhi / Xu, Rui / Kan, Di / He, Xuehao et al. | 2016
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Self-diffusion of protons in H2O ice VII at high pressures: Anomaly around 10 GPaNoguchi, Naoki / Okuchi, Takuo et al. | 2016
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Avoiding fractional electrons in subsystem DFT based ab-initio molecular dynamics yields accurate models for liquid water and solvated OH radicalGenova, Alessandro / Ceresoli, Davide / Pavanello, Michele et al. | 2016
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Does borazine–water behave like benzene-water? A matrix isolation infrared and ab initio studyMishra, P. / Verma, K. / Bawari, D. / Viswanathan, K. S. et al. | 2016
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Tuning the tetrahedrality of the hydrogen-bonded network of water: Comparison of the effects of pressure and added saltsPrasad, Saurav / Chakravarty, Charusita et al. | 2016
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Design of specially adapted reactive coordinates to economically compute potential and kinetic energy operators including geometry relaxationThallmair, Sebastian / Roos, Matthias K. / de Vivie-Riedle, Regina et al. | 2016
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Analyzing relationships between surface perturbations and local chemical reactivity of metal sites: Alkali promotion of O2 dissociation on Ag(111)Xin, Hongliang / Linic, Suljo et al. | 2016
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Publisher’s Note: “The influence of torsion on excimer formation in bipolar host materials for blue phosphorescent OLEDs” [J. Chem. Phys. 144, 214906 (2016)]Rudnick, Alexander A. / Bagnich, Sergey / Wagner, Daniel / Athanasopoulos, Stavros / Strohriegl, Peter / Köhler, Anna et al. | 2016
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Theoretical study on the cooperative exciton dissociation process based on dimensional and hot charge-transfer state effects in an organic photocellShimazaki, Tomomi / Nakajima, Takahito et al. | 2016
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An experimental and theoretical study of the Ã2A″Π–X̃2A′ band system of the jet-cooled HBBr/DBBr free radicalGharaibeh, Mohammed et al. | 2016
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Reactivity from excited state 4FeO+ + CO sampled through reaction of ground state 4FeCO+ + N2OArd, Shaun G. / Shuman, Nicholas S. / Martinez, Oscar / Brown, Steven A. / Sawyer, Jordan C. / Viggiano, Albert A. et al. | 2016
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Toward the laboratory identification of [O,N,S,S] isomers: Implications for biological NO chemistryAyari, Tarek / Jaidane, Nejm-Eddine / Al Mogren, Muneerah Mogren / Francisco, Joseph S. / Hochlaf, Majdi et al. | 2016
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Low-frequency dynamics of aqueous alkali chloride solutions as probed by terahertz spectroscopyKann, Z. R. / Skinner, J. L. et al. | 2016
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Stepwise crystallization and the layered distribution in crystallization kinetics of ultra-thin poly(ethylene terephthalate) filmZuo, Biao / Xu, Jianquan / Sun, Shuzheng / Liu, Yue / Yang, Juping / Zhang, Li / Wang, Xinping et al. | 2016
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Erratum: “Ab initio calculation of the cross sections for electron impact vibrational excitation of CO via the 2Π shape resonance” [J. Chem. Phys. 144, 104303 (2016)]Falcetta, Michael F. / Fair, Mark C. / Tharnish, Emily M. / Williams, Lorna M. / Hayes, Nathan J. / Jordan, Kenneth D. et al. | 2016
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Graph-based linear scaling electronic structure theoryNiklasson, Anders M. N. / Mniszewski, Susan M. / Negre, Christian F. A. / Cawkwell, Marc J. / Swart, Pieter J. / Mohd-Yusof, Jamal / Germann, Timothy C. / Wall, Michael E. / Bock, Nicolas / Rubensson, Emanuel H. et al. | 2016