Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, Z=11–18 (English)
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- New search for: McLean, A. D.
- New search for: Chandler, G. S.
- New search for: McLean, A. D.
- New search for: Chandler, G. S.
In:
The Journal of Chemical Physics
;
72
, 10
;
5639-5648
;
1980
- Article (Journal) / Electronic Resource
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Title:Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, Z=11–18
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Contributors:McLean, A. D. ( author ) / Chandler, G. S. ( author )
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Published in:The Journal of Chemical Physics ; 72, 10 ; 5639-5648
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Publisher:
- New search for: American Institute of Physics
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Publication date:1980-05-15
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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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Source:
Table of contents – Volume 72, Issue 10
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.
- 5291
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Study of the corrosion of aluminium by CCl4, using inelastic electron tunneling spectroscopyEllialtioglu, R.M. / White, H.W. / Godwin, L.M. / Wolfram, T. et al. | 1980
- 5291
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Study of the corrosion of aluminum by CCl4 using inelastic electron tunneling spectroscopyEllialtiog˜lu, R. M. / White, H. W. / Godwin, L. M. / Wolfram, T. et al. | 1980
- 5297
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Initial vibrational state dependence of resonant excitation and ‘‘dissociative attachment’’ in electron–N2 scatteringHuetz, A. / Gresteau, F. / Hall, R. I. / Mazeau, J. et al. | 1980
- 5305
-
Determination of frequency shifts by Raman difference spectroscopyLaane, Jaan / Kiefer, Wolfgang et al. | 1980
- 5312
-
Calculation of molecular polarizabilities using an anisotropic atom point dipole interaction model which includes the effect of electron repulsionBirge, Robert R. et al. | 1980
- 5320
-
Theoretical studies of energy transfer in disordered condensed mediaBlumen, A. / Klafter, J. / Silbey, R. et al. | 1980
- 5333
-
Time‐correlation functions for restricted rotational diffusionWang, C. C. / Pecora, R. et al. | 1980
- 5341
-
GaSe Faraday rotation near the absorption edgeVillaverde, A. Balbin / Donatti, D. A. et al. | 1980
- 5343
-
Absorption spectra of heavily Cu+‐doped KCl, SrCl2 and KI crystalsTsuboi, Taiju et al. | 1980
- 5348
-
Molecular dynamics simulation of the plastic phase of solid methaneBounds, David G. / Klein, Michael L. / Patey, G. N. et al. | 1980
- 5357
-
Extensions of the LSD approximation in density functional calculationsGunnarsson, O. / Jones, R. O. et al. | 1980
- 5363
-
Approximating the master equation by Fokker–Planck‐type equations for single‐variable chemical systemsGillespie, Daniel T. et al. | 1980
- 5371
-
Perturbation theory for the free energy of two‐center‐Lennard‐Jones liquidsFischer, Johann et al. | 1980
- 5378
-
The electronic spectrum of TiNDouglas, A. E. / Veillette, P. M. et al. | 1980
- 5381
-
Measurement of the rate coefficients for the bimolecular and termolecular ion–molecule reactions of Ne2+ with selected atomic and molecular speciesCollins, C. B. / Lee, F. W. et al. | 1980
- 5390
-
On the vibrational structure in the luminescence spectra of uranium‐activated sodium fluoride crystalsBleijenberg, K. C. / Breddels, P. A. et al. | 1980
- 5399
-
Electron correlation, isoelectronic, isonuclear, spin, and excitation aspects of Politzer–Parr partitioningBoyd, Russell J. / Markus, George E. et al. | 1980
- 5405
-
The photolytic cage effect of iodine in the gas phaseZellweger, J. M. / van den Bergh, H. et al. | 1980
- 5412
-
Mo¨ssbauer effect investigations on frozen solutions of 129I2 in para‐ and ortho‐xyleneWynter, C. I. / Chow, Y. W. / Mukerji, Ambuj et al. | 1980
- 5415
-
Isotope, electric field, and vibrational state dependence of single rotational level lifetimes of S1 formaldehydeWeisshaar, James C. / Moore, C. Bradley et al. | 1980
- 5426
-
Vibrational product state distributions of ion–molecule reactions by infrared chemiluminescence: Cl−+HBr,HI→HCl(v)+Br−,I−Zwier, Timothy S. / Bierbaum, Veronica M. / Ellison, G. Barney / Leone, Stephen R. et al. | 1980
- 5437
-
Theoretical prediction of the potential curves for the lowest‐lying states of the isovalent diatomics CN+, Si2, SiC, CP+, and SiN+ using the ab initio MRD‐CI methodBruna, Pablo J. / Peyerimhoff, Sigrid D. / Buenker, Robert J. et al. | 1980
- 5446
-
Molecular beam experiments on the sticking and accommodation of molecular hydrogen on a low‐temperature substrateGovers, T. R. / Mattera, L. / Scoles, G. et al. | 1980
- 5456
-
The Kirkwood instability in a mean field contextKlein, W. / Grewe, N. et al. | 1980
- 5458
-
Logarithmic terms in the softness expansion of dilute gas transport propertiesKayser, R. F. et al. | 1980
- 5469
-
Collisional deactivation of selectively excited N+2Katayama, D. H. / Miller, Terry A. / Bondybey, V. E. et al. | 1980
- 5476
-
Multiple stationary points in open chemically reacting systems. Minimal requirementsKarmann, Klaus‐Peter / Hinze, Juergen et al. | 1980
- 5479
-
Theoretical investigations of rotationally inelastic collisions in the CO2+He system using ab initio, electron‐gas, and ‘‘experimental’’ potential‐energy surfacesStroud, C. L. / Raff, L. M. et al. | 1980
- 5489
-
Kinetics of conformational transitions in chain moleculesSkolnick, Jeffrey / Helfand, Eugene et al. | 1980
- 5501
-
Nonbonding intermolecular forces: The tetrathiafulvalene (TTF) dimerSilverman, B. D. et al. | 1980
- 5505
-
Nonradiative electronic relaxation of gas phase aromatic carbonyl compounds: BenzaldehydeHirata, Y. / Lim, E. C. et al. | 1980
- 5511
-
Quantum mechanics of the ground state of four identical fermionsBruch, L. W. et al. | 1980
- 5516
-
Detailed features in the local mode overtone bands of ethane, neopentane, tetramethylbutane, and hexamethylbenzeneHenry, Bryan R. / Greenlay, Wayne R. A. et al. | 1980
- 5525
-
Vibration→vibration energy transfer in methaneHess, Peter / Kung, A. H. / Moore, C. Bradley et al. | 1980
- 5532
-
The Hellmann–Feynman theorem for approximate wave functions and its application to nonadiabatic coupling matrix elements with the aid of a coupled Hartree–Fock methodHabitz, Peter / Votava, Christian et al. | 1980
- 5540
-
The use of symmetrized valence and relative motion coordinates for crystal potentialsMcMurry, H. L. / Hansen, Flemming Y. et al. | 1980
- 5550
-
Normal mode calculations of trigonal seleniumHansen, Flemming Y. / McMurry, H. L. et al. | 1980
- 5565
-
Multiphoton ionization spectroscopy of acetaldehyde in its lowest Rydberg stateHeath, Barbara A. / Robin, M. B. / Kuebler, N. A. / Fisanick, G. J. / Eichelberger, T. S. et al. | 1980
- 5571
-
Multiphoton ionization mass spectroscopy of acetaldehydeFisanick, G. J. / Eichelberger, T. S. / Heath, Barbara A. / Robin, M. B. et al. | 1980
- 5581
-
The transport properties of binary gas mixtures in applied magnetic fieldsThomas, James A. / Curtiss, C. F. et al. | 1980
- 5591
-
Evaluation of kinetic theory collision integrals using the generalized phase shift approachThomas, James A. / Curtiss, C. F. et al. | 1980
- 5603
-
Deuterium separation at high pressure by nanosecond CO2 laser multiple‐photon dissociationMarling, Jack B. / Herman, Irving P. / Thomas, Scott J. et al. | 1980
- 5635
-
Emission of the Hα and Hβ lines excited by electron impact on H2Ortiz, M. / Campos, J. et al. | 1980
- 5639
-
Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, Z=11–18McLean, A. D. / Chandler, G. S. et al. | 1980
- 5649
-
The ground state of rhombohedral crystals in an external magnetic fieldTheophilou, A. K. / Thanos, S. et al. | 1980
- 5656
-
Polymorphism of crystalline poly(hydroxymethyl) compounds. III. The structures of crystalline and plastic tris(hydroxymethyl)aminomethaneEilerman, Donna / Rudman, Reuben et al. | 1980
- 5667
-
Vibrational relaxation cross sections and rates of equilibration in electronically excited benzene (2537 Å excitation)Logan, L. M. / Buduls, I. / Knight, A. E. W. / Ross, I. G. et al. | 1980
- 5673
-
Collisional ionization of Cs and K by O2Stockdale, J. A. D. / Warmack, R. J. et al. | 1980
- 5679
-
Calculated spectroscopic constants for the X 3Σ−, 1Δ, 1Σ+, 3Π, and 1Π states of CCO. The heat of formation of CCOWalch, Stephen P. et al. | 1980
- 5687
-
Vibrational energy transfers from the v=1 level of HBr to the v=1 level of CO, NO, N2, and O2, and to the 00° 1 level of CO2 and N2OSeoudi, B. / Doyennette, L. / Margottin‐Maclou, M. / Henry, L. et al. | 1980
- 5694
-
Accurate solutions to integral equations describing weakly screened ionic systemsRossky, Peter J. / Friedman, Harold L. et al. | 1980
- 5701
-
Partial photoionization cross section and photoelectron angular distribution for the X 2Σg+ state of N2+ in the static‐exchange approximationRaseev, G. / Le Rouzo, H. / Lefebvre‐Brion, H. et al. | 1980
- 5710
-
Structure and dynamics of associated molecular systems. III. Computer simulation of liquid hydrogen chlorideMcDonald, Ian R. / O’Shea, Se´amus F. / Bounds, David G. / Klein, Michael L. et al. | 1980
- 5718
-
Absolute rate constant for the reaction of O(3P) with CH3SSCH3 from 270 to 329 KLee, Jai H. / Tang, I. N. et al. | 1980
- 5721
-
Vibrational relaxation in jet‐cooled para‐alkylanilinesPowers, D. E. / Hopkins, J. B. / Smalley, R. E. et al. | 1980
- 5731
-
On laser‐induced harpooning reactionsWeiner, John et al. | 1980
- 5733
-
Collision induced relaxation of an electronically excited molecule: Evidence for low energy resonance enhanced vibrational deactivationSulkes, Mark / Tusa, James / Rice, Stuart A. et al. | 1980
- 5744
-
Electron propagator theory of molecular anionsOrtiz B., J. V. / O¨hrn, Yngve et al. | 1980
- 5752
-
Critical heat capacity of NH4Br and NH4BrxCl1−x single crystalsLushington, K. J. / Garland, C. W. et al. | 1980
- 5760
-
Temperature dependence of the far IR spectrum of α‐N2Medina, F. D. et al. | 1980
- 5763
-
The interaction of two spherical colloidal particles in electrolyte solution. An application of the hypernetted‐chain approximationPatey, G. N. et al. | 1980
- 5772
-
Laser enhanced collisional effects in the multiphoton ionization of molecules in supersonic expansionsDemaray, R. Ernest / Otis, Charles / Aron, Kenneth / Johnson, Philip et al. | 1980
- 5774
-
A direct view of intramolecular vibrational redistribution in S1 p‐difluorobenzeneCoveleskie, R. A. / Dolson, D. A. / Parmenter, C. S. et al. | 1980
- 5775
-
Critical lengths and spinodal region of the Lennard‐Jones fluiddel Ri´o, Fernando / Mier y Tera´n, Luis et al. | 1980
- 5777
-
Molecular hydrogen exchange: A study of HD(v=5)+HD(v =0)→H2+D2Herman, Irving P. et al. | 1980
- 5779
-
The effect of surface roughness on surface enhanced Raman scatteringGersten, Joel I. et al. | 1980
- 5780
-
Rayleigh, Mie, and Raman scattering by molecules adsorbed on rough surfacesGersten, Joel I. et al. | 1980
- 5781
-
O2* (a 1Δg) in the reaction of H+O3Washida, N. / Akimoto, H. / Okuda, M. et al. | 1980
- 5783
-
Penning ionization of metastable helium in the metastable helium–metastable neon systemNeynaber, R. H. / Tang, S. Y. et al. | 1980
- 5784
-
On the optimum trajectory in semiclassical calculations of inelastic collisionsGordon, Robert J. et al. | 1980
- 5786
-
Analytic formula for chemically induced magnetic polarization by S–T±1 mixing in a strong magnetic fieldAdrian, F. J. / Monchick, L. et al. | 1980
- 5787
-
On the many‐body contributions to the 0K binding energy of solid argonAziz, Ronald A. et al. | 1980
- 5789
-
A more compact form of the equation of state for mixtures of hard spheresPonce‐Ramirez, L. et al. | 1980