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Volume 106, Issue 15

15 April 1997

All Issues

ISSN 0021-9606

EISSN 1089-7690

Photoabsorption and ionization energies of nonstoichiometric CsI clusters: Metallization of a salt

S. Frank; N. Malinowski; F. Tast; M. Heinebrodt; I. M. L. Billas; T. P. Martin

J. Chem. Phys. 106, 6217–6221 (1997) https://doi.org/10.1063/1.473614

Abstract

View articletitled, Photoabsorption and ionization energies of nonstoichiometric CsI clusters: Metallization of a salt

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Fourier transform infrared observation of the vibrational spectrum of the linear SiCCH radical in Ar at 10 K

Dongsheng Han; C. M. L. Rittby; W. R. M. Graham

J. Chem. Phys. 106, 6222–6230 (1997) https://doi.org/10.1063/1.473616

Abstract

View articletitled, Fourier transform infrared observation of the vibrational spectrum of the linear SiCCH radical in Ar at 10 K

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The low-lying electronic states of CrF and CrCl: Analysis of the $A^{6} Σ^{+} {→X}^{6} Σ^{+}$ system of CrCl

M. Bencheikh; R. Koivisto; O. Launila; J. P. Flament

J. Chem. Phys. 106, 6231–6239 (1997) https://doi.org/10.1063/1.473640

Abstract

View articletitled, The low-lying electronic states of CrF and CrCl: Analysis of the <math xmlns="http://www.w3.org/1998/Math/MathML"> <msup xmlns=""> <mi>A </mi> <mrow> <mn>6</mn> </mrow> </msup> <msup xmlns=""> <mi>Σ</mi> <mrow> <mi>+</mi> </mrow> </msup> <msup xmlns=""> <mi>→X </mi> <mrow> <mn>6</mn> </mrow> </msup> <msup xmlns=""> <mi>Σ</mi> <mrow> <mi>+</mi> </mrow> </msup> </math> system of CrCl

Supplementary Material

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Determination of the structure of HBr DBr

Wei Chen; A. R. Hight Walker; Stewart E. Novick; Fu-Ming Tao

J. Chem. Phys. 106, 6240–6247 (1997) https://doi.org/10.1063/1.474055

Abstract

View articletitled, Determination of the structure of HBr DBr

Supplementary Material

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Transient nutation electron spin resonance spectroscopy on spin-correlated radical pairs: A theoretical analysis on hyperfine-induced nuclear modulations

Stefan Weber; Gerd Kothe; James R. Norris

J. Chem. Phys. 106, 6248–6261 (1997) https://doi.org/10.1063/1.473617

Abstract

View articletitled, Transient nutation electron spin resonance spectroscopy on spin-correlated radical pairs: A theoretical analysis on hyperfine-induced nuclear modulations

Supplementary Material

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Transition probabilities in OH A ²Σ⁺−X ²Π_i: Bands with v′=2 and 3

Kristen L. Steffens; Jorge Luque; Jay B. Jeffries; David R. Crosley

J. Chem. Phys. 106, 6262–6267 (1997) https://doi.org/10.1063/1.473644

Abstract

View articletitled, Transition probabilities in OH A 2Σ+−X 2Πi: Bands with v′=2 and 3

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Photoionization spectroscopy of ionic metal dimers: LiCu and LiAg

L. R. Brock; A. M. Knight; J. E. Reddic; J. S. Pilgrim; M. A. Duncan

J. Chem. Phys. 106, 6268–6278 (1997) https://doi.org/10.1063/1.473615

Abstract

View articletitled, Photoionization spectroscopy of ionic metal dimers: LiCu and LiAg

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Rotor-vibrator couplings in partially deuterated toluenes

Willem Siebrand; Marek Z. Zgierski; Francesco Zerbetto; Marek J. Wójcik; Marek Boczar; Tapas Chakraborty; William G. Kofron; Edward C. Lim

J. Chem. Phys. 106, 6279–6287 (1997) https://doi.org/10.1063/1.473618

Abstract

View articletitled, Rotor-vibrator couplings in partially deuterated toluenes

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Non-additive intermolecular forces from the spectroscopy of Van der Waals trimers: A comparison of ${Ar}_{2} - HF$ and ${Ar}_{2} - HCl$ ⁠, including H/D isotope effects

Andreas Ernesti; Jeremy M. Hutson

J. Chem. Phys. 106, 6288–6301 (1997) https://doi.org/10.1063/1.473645

Abstract

View articletitled, Non-additive intermolecular forces from the spectroscopy of Van der Waals trimers: A comparison of <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">Ar</mi><mrow><mn>2</mn></mrow></msub><mi xmlns="">–</mi><mi mathvariant="normal" xmlns="">HF</mi></math> and <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">Ar</mi><mrow><mn>2</mn></mrow></msub><mi xmlns="">–</mi><mi mathvariant="normal" xmlns="">HCl</mi></math>⁠, including H/D isotope effects

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Laser-induced fluorescence of the ${CH}_{2} CFO$ radical

Masashi Furubayashi; Isabelle Bridier; Satoshi Inomata; Nobuaki Washida; Koichi Yamashita

J. Chem. Phys. 106, 6302–6309 (1997) https://doi.org/10.1063/1.473641

Abstract

View articletitled, Laser-induced fluorescence of the <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">CH</mi><mrow><mi mathvariant="normal">2</mi></mrow></msub><mi mathvariant="normal" xmlns="">CFO</mi></math> radical

Supplementary Material

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Dielectric relaxation in the lead–iron oxide glass system

S. Mandal; A. Ghosh

J. Chem. Phys. 106, 6310–6313 (1997) https://doi.org/10.1063/1.473619

Abstract

View articletitled, Dielectric relaxation in the lead–iron oxide glass system

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Incorporation of angular momentum anisotropy into the analysis of resonant four-wave mixing spectroscopy

Thierry A. W. Wasserman; Patrick H. Vaccaro; Bruce R. Johnson

J. Chem. Phys. 106, 6314–6319 (1997) https://doi.org/10.1063/1.473620

Abstract

View articletitled, Incorporation of angular momentum anisotropy into the analysis of resonant four-wave mixing spectroscopy

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A collaborative theoretical and experimental study of the structure and electronic excitation spectrum of the Bar and ${Bar}_{2}$ complexes

Millard H. Alexander; Andrew R. Walton; Moonbong Yang; Xin Yang; Eunsook Hwang; Paul J. Dagdigian

J. Chem. Phys. 106, 6320–6331 (1997) https://doi.org/10.1063/1.473621

Abstract

View articletitled, A collaborative theoretical and experimental study of the structure and electronic excitation spectrum of the Bar and <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">Bar</mi><mrow><mn>2</mn></mrow></msub></math> complexes

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Doppler-free spectroscopy of KLi

V. Bednarska; A. Ekers; P. Kowalczyk; W. Jastrzȩbski

J. Chem. Phys. 106, 6332–6337 (1997) https://doi.org/10.1063/1.473622

Abstract

View articletitled, Doppler-free spectroscopy of KLi

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Rayleigh–Schrödinger perturbation theory for coupled oscillators. III. Curve-crossing problems

Vladimı́r Špirko; Jiřı́ Čı́žek

J. Chem. Phys. 106, 6338–6345 (1997) https://doi.org/10.1063/1.473623

Abstract

View articletitled, Rayleigh–Schrödinger perturbation theory for coupled oscillators. III. Curve-crossing problems

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Semiclassical initial value representation for electronically nonadiabatic molecular dynamics

Xiong Sun; William H. Miller

J. Chem. Phys. 106, 6346–6353 (1997) https://doi.org/10.1063/1.473624

Abstract

View articletitled, Semiclassical initial value representation for electronically nonadiabatic molecular dynamics

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The state-to-state photodissociation dynamics of HOD $(Ã)$

M. Brouard; S. R. Langford

J. Chem. Phys. 106, 6354–6364 (1997) https://doi.org/10.1063/1.473625

Abstract

View articletitled, The state-to-state photodissociation dynamics of HOD<math xmlns="http://www.w3.org/1998/Math/MathML"><mi xmlns="">(Ã)</mi></math>

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Angle-energy distributions of Penning ions in crossed molecular beams. III. Angle-energy coupling in ${He}^{*} {(2}^{1} {S,2}^{3} S)+ {Ar→He+Ar}^{+} {+e}^{-}$

E. J. Longley; P. E. Siska

J. Chem. Phys. 106, 6365–6375 (1997) https://doi.org/10.1063/1.473626

Abstract

View articletitled, Angle-energy distributions of Penning ions in crossed molecular beams. III. Angle-energy coupling in <math xmlns="http://www.w3.org/1998/Math/MathML"><msup xmlns=""><mi mathvariant="normal">He</mi><mrow><mi mathvariant="normal">*</mi></mrow></msup><msup xmlns=""><mtext>(2 </mtext><mrow><mn>1</mn></mrow></msup><msup xmlns=""><mtext>S,2 </mtext><mrow><mn>3</mn></mrow></msup><mi xmlns="">S)+</mi><msup xmlns=""><mi mathvariant="normal">Ar→He+Ar</mi><mrow><mi mathvariant="normal">+</mi></mrow></msup><msup xmlns=""><mi>+e</mi><mrow><mi>−</mi></mrow></msup></math>

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Wave selection and lateral instabilities in mixed autocatalytic systems

R. A. Milton; S. K. Scott

J. Chem. Phys. 106, 6376–6384 (1997) https://doi.org/10.1063/1.473627

Abstract

View articletitled, Wave selection and lateral instabilities in mixed autocatalytic systems

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Experimental observations of high-energy electron degradation in argon

Manuela M. Burgers; Ronald Cooper

J. Chem. Phys. 106, 6385–6389 (1997) https://doi.org/10.1063/1.473628

Abstract

View articletitled, Experimental observations of high-energy electron degradation in argon

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Photofragment excitation spectrum for O(¹D) from the photodissociation of jet-cooled ozone in the wavelength range 305–329 nm

Kenshi Takahashi; Masahiro Kishigami; Nori Taniguchi; Yutaka Matsumi; Masahiro Kawasaki

J. Chem. Phys. 106, 6390–6397 (1997) https://doi.org/10.1063/1.473629

Abstract

View articletitled, Photofragment excitation spectrum for O(1D) from the photodissociation of jet-cooled ozone in the wavelength range 305–329 nm

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Normal mode analysis for a comparative study of relaxation processes of charge transfer and photoexcitation in C₆₀

G. P. Zhang; X. Sun; Thomas F. George; Lakshmi N. Pandey

J. Chem. Phys. 106, 6398–6403 (1997) https://doi.org/10.1063/1.473630

Abstract

View articletitled, Normal mode analysis for a comparative study of relaxation processes of charge transfer and photoexcitation in C60

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Picosecond dynamics of an IR sensitive squaraine dye. Role of singlet and triplet excited states in the photosensitization of ${TiO}_{2}$ nanoclusters

Di Liu; Prashant V. Kamat; K. George Thomas; K. J. Thomas; Suresh Das; M. V. George

J. Chem. Phys. 106, 6404–6411 (1997) https://doi.org/10.1063/1.473631

Abstract

View articletitled, Picosecond dynamics of an IR sensitive squaraine dye. Role of singlet and triplet excited states in the photosensitization of <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">TiO</mi><mrow><mn>2</mn></mrow></msub></math> nanoclusters

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Quantum Monte Carlo binding energies for silicon hydrides

C. W. Greeff; W. A. Lester, Jr.

J. Chem. Phys. 106, 6412–6417 (1997) https://doi.org/10.1063/1.473612

Abstract

View articletitled, Quantum Monte Carlo binding energies for silicon hydrides

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Electronic structure of poly-oxadiazoles

G. Brocks; A. Tol

J. Chem. Phys. 106, 6418–6423 (1997) https://doi.org/10.1063/1.473632

Abstract

View articletitled, Electronic structure of poly-oxadiazoles

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Anharmonic force fields and spectroscopic properties of ${BF}_{3}$ and ${CF}_{3}^{+}$ using the coupled cluster method

Youngshang Pak; R. Claude Woods

J. Chem. Phys. 106, 6424–6429 (1997) https://doi.org/10.1063/1.473633

Abstract

View articletitled, Anharmonic force fields and spectroscopic properties of <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">BF</mi><mrow><mn>3</mn></mrow></msub></math> and <math xmlns="http://www.w3.org/1998/Math/MathML"><msubsup xmlns=""><mi mathvariant="normal">CF</mi><mrow><mn>3</mn></mrow><mrow><mi>+</mi></mrow></msubsup></math> using the coupled cluster method

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The prediction of molecular equilibrium structures by the standard electronic wave functions

Trygve Helgaker; Jürgen Gauss; Poul Jo/rgensen; Jeppe Olsen

J. Chem. Phys. 106, 6430–6440 (1997) https://doi.org/10.1063/1.473634

Abstract

View articletitled, The prediction of molecular equilibrium structures by the standard electronic wave functions

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A new method for excited states: Similarity transformed equation-of-motion coupled-cluster theory

Marcel Nooijen; Rodney J. Bartlett

J. Chem. Phys. 106, 6441–6448 (1997) https://doi.org/10.1063/1.474000

Abstract

View articletitled, A new method for excited states: Similarity transformed equation-of-motion coupled-cluster theory

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Similarity transformed equation-of-motion coupled-cluster study of ionized, electron attached, and excited states of free base porphin

Marcel Nooijen; Rodney J. Bartlett

J. Chem. Phys. 106, 6449–6455 (1997) https://doi.org/10.1063/1.473635

Abstract

View articletitled, Similarity transformed equation-of-motion coupled-cluster study of ionized, electron attached, and excited states of free base porphin

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Phase coexistence in clusters: An “experimental” isobar and an elementary model

Benjamin Vekhter; R. Stephen Berry

J. Chem. Phys. 106, 6456–6459 (1997) https://doi.org/10.1063/1.473636

Abstract

View articletitled, Phase coexistence in clusters: An “experimental” isobar and an elementary model

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Solubility limits of silicate melts

L. René Corrales; Keith D. Keefer

J. Chem. Phys. 106, 6460–6469 (1997) https://doi.org/10.1063/1.474122

Abstract

View articletitled, Solubility limits of silicate melts

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Geometry optimization of a water molecule in water. A combined quantum chemical and statistical mechanical treatment

Nigel W. Moriarty; Gunnar Karlström

J. Chem. Phys. 106, 6470–6474 (1997) https://doi.org/10.1063/1.473637

Abstract

View articletitled, Geometry optimization of a water molecule in water. A combined quantum chemical and statistical mechanical treatment

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A molecular dynamics study of impurity desorption from solid clusters of rigid C₆₀ molecules

M. C. Abramo; C. Caccamo

J. Chem. Phys. 106, 6475–6482 (1997) https://doi.org/10.1063/1.473613

Abstract

View articletitled, A molecular dynamics study of impurity desorption from solid clusters of rigid C60 molecules

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A small-angle neutron scattering study of nonionic surfactant molecules at the water–oil interface: Area per molecule, microemulsion domain size, and rigidity

T. Sottmann; R. Strey; S.-H. Chen

J. Chem. Phys. 106, 6483–6491 (1997) https://doi.org/10.1063/1.473638

Abstract

View articletitled, A small-angle neutron scattering study of nonionic surfactant molecules at the water–oil interface: Area per molecule, microemulsion domain size, and rigidity

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The longer time collapse kinetics of interfacial $poly (N- isopropylacrylamide)$ in water

Peng Wei Zhu; Donald H. Napper

J. Chem. Phys. 106, 6492–6498 (1997) https://doi.org/10.1063/1.474098

Abstract

View articletitled, The longer time collapse kinetics of interfacial <math xmlns="http://www.w3.org/1998/Math/MathML"><mi mathvariant="normal" xmlns="">poly</mi><mi xmlns="">(N-</mi><mi mathvariant="normal" xmlns="">isopropylacrylamide</mi><mi xmlns="">)</mi></math> in water

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Two phases of acetylene adsorbed on NaCl(001) studied by high-resolution helium atom scattering

Alexei Glebov; Roger E. Miller; J. Peter Toennies

J. Chem. Phys. 106, 6499–6506 (1997) https://doi.org/10.1063/1.473639

Abstract

View articletitled, Two phases of acetylene adsorbed on NaCl(001) studied by high-resolution helium atom scattering

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Spin-dependent effects in charge carrier photogeneration in amorphous molecular semiconductor with charge transfer-complex centers

N. A. Davidenko; N. G. Kuvshinsky

J. Chem. Phys. 106, 6507–6510 (1997) https://doi.org/10.1063/1.473611

Abstract

View articletitled, Spin-dependent effects in charge carrier photogeneration in amorphous molecular semiconductor with charge transfer-complex centers

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Effects of finite grain size on adsorption in two-dimensional microporous media: Pillared clays

T. F. Nagy; S. D. Mahanti

J. Chem. Phys. 106, 6511–6512 (1997) https://doi.org/10.1063/1.473646

Abstract

View articletitled, Effects of finite grain size on adsorption in two-dimensional microporous media: Pillared clays

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