Vertical ionization potentials of ethylene: the right answer for the right reason? (English)
- New search for: Yau, A. D.
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- New search for: Bartlett, R. J.
- New search for: Yau, A. D.
- New search for: Perera, S. A.
- New search for: Bartlett, R. J.
In:
MOLECULAR PHYSICS
;
100
;
835-842
;
2002
-
ISSN:
- Article (Journal) / Print
-
Title:Vertical ionization potentials of ethylene: the right answer for the right reason?
-
Contributors:
-
Published in:MOLECULAR PHYSICS ; 100 ; 835-842
-
Publisher:
- New search for: TAYLOR & FRANCIS LTD
-
Publication date:2002-01-01
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Size:8 pages
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ISSN:
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Type of media:Article (Journal)
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Type of material:Print
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Language:English
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Classification:
DDC: 539.6 -
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Table of contents – Volume 100
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.
- 1
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EditorialMILLS, IAN et al. | 2002
- 3
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CommentMCLAUCHLAN, K. A. et al. | 2002
- 5
-
Determination of the relative signs of proton spin coupling constants by double irradiationFREEMAN, R. / WHIFFEN, D. H. et al. | 2002
- 11
-
The symmetry groups of non-rigid moleculesLONGUET-HIGGINS, H. C. et al. | 2002
- 23
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A rigid sphere model for the melting of argonLONGUET-HIGGINS, H. C. / WIDOM, B. et al. | 2002
- 31
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Optical pumping in an organic crystal: quinoxaline in dureneDE GROOT, M. S. / HESSELMANN, I. A. M. / SCHMIDT, J. / VAN DER WAALS, J. H. et al. | 2002
- 47
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Simplification of the molecular vibration-rotation hamiltonianWATSON, JAMES K. G. et al. | 2002
- 57
-
Ab initio calculation of force constants and equilibrium geometries in polyatomic molecules. I. TheoryPULAY, P. et al. | 2002
- 65
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The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errorsBOYS, S. F. / BERNARDI, F. et al. | 2002
- 77
-
The transcorrelated method for accurate correlation energies using gaussian-type functions: examples on He, H2, LiH and H2OHANDY, N. C. et al. | 2002
- 95
-
NpT-ensemble Monte Carlo calculations for binary liquid mixturesMcDONALD, I. R. et al. | 2002
- 109
-
Statistical theory of angular momentum polarization in chemical reactionsCASE, D. A. / HERSCHBACH, D. R. et al. | 2002
- 129
-
The Ornstein-Zernike equation for a fluid in contact with a surfaceHENDERSON, DOUGLAS / ABRAHAM, FARID F. / BARKER, JOHN A. et al. | 2002
- 129
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Research Note: The Ornstein-Zernike equation for a fluid in contact with a surface (+Erratum)Henderson, D. / Abraham, F. F. / Barker, J. A. et al. | 2002
- 135
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Elucidation of cross relaxation in liquids by two-dimensional N.M.R. spectroscopyMACURA, S. / ERNST, R. R. et al. | 2002
- 151
-
Anisotropic intermolecular forces. I. Rare gas—hydrogen chloride systemsHUTSON, JEREMY M. / HOWARD, BRIAN J. et al. | 2002
- 167
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The direct CI method. A detailed analysisSAUNDERS, V. R. / VAN LENTHES, J. H. et al. | 2002
- 191
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A molecular dynamics method for simulations in the canonical ensembleNOSÉ, SHɄICHI et al. | 2002
- 201
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The hard ellipsoid-of-revolution fluid I. Monte Carlo simulationsFRENKEL, D. / MULDER, B. M. et al. | 2002
- 221
-
Distributed multipole analysis Methods and applicationsSTONE, A. J. / ALDERTON, M. et al. | 2002
- 237
-
Direct determination of phase coexistence properties of fluids by Monte Carlo simulation in a new ensemblePANAGIOTOPOULOS, ATHANASSIOS Z. et al. | 2002
- 247
-
Potential energy surface for the hydroperoxy and water (HO2·H2O) radical complexBELAIR, STEPHEN D. / KAIS, SABRE / FRANCISCO, JOSEPH S. et al. | 2002
- 255
-
Icosahedral symmetry adaptation of |JM⟩ basesQIU, Q. C. / CEULEMANS, A. et al. | 2002
- 265
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Development of a force field for molecular simulation of the phase equilibria of perfluoromethylpropyl etherLI, H.-C. / MCCABEL, C. / CUI, S. T. / CUMMINGS, P. T. / COCHRAN, H. D. et al. | 2002
- 273
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Magnetic shielding tensors of carbon nuclei in 3,5-dichlorophenylacetylene, a theoretical ab initio and experimental studyMOLCHANOV, SERGEY / ORZELSKI, WOJCIECH / GRYFF-KELLER, ADAM / POTRZEBOWSKI, MAREK J. et al. | 2002
- 287
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EPR of an exchange-coupled, hydrogen-bridged one-dimensional Cu(II) complex containing both octahedral and square pyramidal geometries in the same unit cellKARUNAKARAN, CHANDRAN / THOMAS, K. R. JUSTIN / SHUNMUGASUNDARAM, ARUNACHALAM / MURUGESAN, RAMACHANDRAN et al. | 2002
- 297
-
A geometrical model for the double octahedral group based on a genus two Riemann surfaceKING, R. B. et al. | 2002
- 303
-
The temperature dependence of the hydroxyl deuterium quadrupole coupling parameter and the rotational correlation time of the OD internuclear vector in neat ethanol-d 1FERRIS, THOMAS D. / FARRAR, THOMAS C. et al. | 2002
- 311
-
Equation of state of long chain molecules and ringsSRIVASTAVA, VANDANA / KHANNA, K. N. et al. | 2002
- 317
-
Biography - Ernest Roy Davidson| 2002
- 317
-
BiographyDAVIDSON, ERNEST Roy et al. | 2002
- 331
-
Ernest Roy Davidson as a studentSHULL, HARRISON et al. | 2002
- 335
-
Natural orbitals, diatomic molecules and ERDBENDER, CHARLIE et al. | 2002
- 337
-
Symmetry breaking, diradicals, and Coping with and Coping without Ernest DavidsonBORDEN, WESTON THATCHER et al. | 2002
- 349
-
Reflections on Ernest Roy Davidson: the UW years 1962–1984KWTRAM, ALVIN L. et al. | 2002
- 353
-
Electron spin resonance studies of 199HgH, 201HgH, 199HgD and 201HgD isolated in neon and argon matrices at 4K: an electronic structure investigationSTOWE, ASHLEY C. / KNIGHT, LON B.JR et al. | 2002
- 361
-
A personal recollection of Ernest Roy Davidson's contributions to organic chemistryGAJEWSKI, JOSEPH J. et al. | 2002
- 371
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Ernest Roy Davidson: A career of distinctionPEYERIMHOFF, SIGRID D. et al. | 2002
- 373
-
Local spin IIDAVIDSON, ERNEST R. / CLARK, AURORA E. et al. | 2002
- 385
-
Assessing isomeric structures of pincer-ligated ruthenium and osmium polyhydrides using density functional calculationsWATSON, LORI ANNE / CAULTON, KENNETH G. et al. | 2002
- 397
-
An alternate derivation of the Herman—Kluk (coherent state) semiclassical initial value representation of the time evolution operatorMILLER, WILLIAM H. et al. | 2002
- 401
-
An approximate exchange-correlation hole density as a functional of the natural orbitalsBUIJSE, M. A. / BAERENDS, E. J. et al. | 2002
- 423
-
Density functional theory-based reactivity descriptors for dioxinsARULMOZHIRAJA, SUNDARAM / FUJII, TOSHIHIRO / SATO, GEN et al. | 2002
- 433
-
Eigenvalues, integer discontinuities and NMR shielding constants in Kohn—Sham theoryALLEN, MARK J. / TOZER, DAVID J. et al. | 2002
- 441
-
An analysis of the conformers of 1,5-hexadieneROCQUE, BRANDON G. / GONZALES, JASON M. / SCHAEFER, HENRY F.III et al. | 2002
- 447
-
A full configuration interaction calculation of the density dependence of the 3He shielding constantPECUL, MAGDALENA / RIZZO, ANTONIO et al. | 2002
- 453
-
The heats of formation of the haloacetylenes XCCY [X, Y = H, F, Cl]: basis set limit ab initio results and thermochemical analysisPARTHIBAN, SRINIVASAN / MARTIN, JAN M. L. / LIEBMAN, JOEL F. et al. | 2002
- 453
-
The heats of formation of the haloacetylenes XCCY (X, YParthiban, Srinivasan et al. | 2002
- 465
-
Study of Rydberg transitions in NaHeMARTÍN, I. / CHARRO, E. / LAVÍN, C. et al. | 2002
- 475
-
Lifetimes of metastable spherical carbon cluster dianionsSHI, QICUN / KAIS, SABRE et al. | 2002
- 483
-
Practical failures from the inclusion of exact exchange: how much exact exchange is appropriate?ORLOVA, GALINA / GODDARD, JOHN D. et al. | 2002
- 499
-
A comparison of finite basis set and finite difference Hartree—Fock calculations for the open-shell (X 2Σ+) molecules BaF and YbFKOBUS, J. / MONCRIEFF, D. / WILSON, S. et al. | 2002
- 499
-
A comparison of finite basis set and finite difference Hartree-Fock calculations for the open-shell (X ^2Sigma^+) molecules BaF and YbFKobus, J. / Moncrieff, D. / Wilson, S. et al. | 2002
- 499
-
A comparison of finite basis set and finite difference Hartree-Fock calculations for the open-shell (X2 S+) molecules BaF and YbFKobus, J. et al. | 2002
- 509
-
The electronic spectrum of chloromethanol ClCH2OH in comparison with isomeric methylhypochlorite CH3OClMÜHLHÄUSER, MAX / SCHNELL, MELANIE / PEYERIMHOFF, SIGRID D. et al. | 2002
- 517
-
Electronic structures of osmium dinitrides and dinltrogen molecule activation by the osmium atomCao, Z. / Wu, W. / Zhang, Q. et al. | 2002
- 517
-
Electronic structures of osmium dinitrides and dinitrogen molecule activation by the osmium atomCAO, ZEXING / WU, WEI / ZHANG, QIANER et al. | 2002
- 523
-
Sigma trans promotion effect in transition metal complexes: a manifestation of the composite nature of binding energyKHOROSHUN, DMITRY V. / MUSAEV, DJAMALADDIN G. / MOROKUMA, KEIJI et al. | 2002
- 533
-
Comparison of α CH and CF activation in alkyl transition metal complexes: a DFT and CASSCF studyGÉRARD, HÉLÈNE / DAVIDSON, ERNEST R. / EISENSTEIN, ODILE et al. | 2002
- 533
-
Comparison of a CH and CF activation in alkyl transition metal complexes: a DFT and CASSCF studyGérard, Hélène et al. | 2002
- 533
-
Comparison of alpha CH and CF activation in alkyl transition metal complexes: a DFT and CASSCF studyGerard, H. / Davidson, E. R. / Eisenstein, O. et al. | 2002
- 541
-
Benchmark calculations of some molecular properties of O2, CN and other selected small radicals using the ROHF-CCSD(T) methodNEOGRÁDY, PAVEL / MEDVEĎ, MIROSLAV / ČERNUŠÁK, IVAN / URBAN, MIROSLAV et al. | 2002
- 541
-
Invited paper: Benchmark calculations of some molecular properties of O~2, CN and other selected small radicals using the ROHF-CCSD(T) methodNeogrady, P. / Medved, M. / Cernusak, I. / Urban, M. et al. | 2002
- 561
-
A quantum wave packet study of three-dimensional inelastic scattering: He—H2GOGTAS, FAHRETTIN / BULUT, NIYAZI et al. | 2002
- 569
-
The equilibrium geometry of the SC3H radical: an ab initio studyFLORES, J. R. / GÓMEZ, F. J. et al. | 2002
- 579
-
Orientational structure in a monolayer of dipolar hard spheresWEIS, J. J. et al. | 2002
- 595
-
The velocity autocorrelation function and self-diffusion coefficient of fluids with steeply repulsive potentialsHEYES, DAVID M. / POWLES, JACK G. / RICKAYZEN, GERALD et al. | 2002
- 611
-
Rotational spectra and internal dynamics of Ne—H2SLIU, YAQIAN / JÄGER, WOLFGANG et al. | 2002
- 623
-
Calculation of nuclear magnetic shieldings XIV. Relativistic mass—velocity corrected perturbation HamiltoniansBABA, T. / FUKUI, H. et al. | 2002
- 635
-
Electrostatic interactions in molecular dynamics simulation of a three-dimensional system with periodicity in one directionGRZYBOWSKI, A. / BRÓDKA, A. et al. | 2002
- 641
-
Estimation of slow diffusion rates in confined systems: CCl4 in zeolite NaAGHORAI, PRADIP KR. / YASHONATH, S. / LYNDEN-BELL, R. M. et al. | 2002
- 649
-
Adiabatic and non-adiabatic corrections to properties of the hydrogen molecular cation and its isotopomers: dissociation energies and bond lengthsMOSS, R. E. / VALENZANO, L. et al. | 2002
- 655
-
High-resolution infrared and laser photoacoustic spectroscopy of monochloroacetyleneNELA, MARIA / NISKANEN, KIRSI / VAITTINEN, OLAVI / HALONEN, LAURI / BÜRGER, HANS / POLANZ, OLIVER et al. | 2002
- 667
-
Phase transitions in binary mixtures of rodlike colloids and stiff polymersHEMMER, P. C. / MARTHINSEN, T. H. et al. | 2002
- 673
-
Dielectric relaxation of a-cyclodextrin-polyiodide complexes (a-cyclodextrin)2. LiI3. I2. 8H2O and (a-cyclodextrin)2. Cd0.5. I5. 26H2OGhikas, Thanos C. et al. | 2002
- 673
-
Dielectric relaxation of α-cyclodextrin—polyiodide complexes (α-cyclodextrin)2 · LiI3 · I2 · 8H2O and (α-cyclodextrin)2 · Cd0.5 · I5 · 26H2OGHIKAS, THANOS C. / PAPAIOANNOU, JOHN C. et al. | 2002
- 673
-
Dielectric relaxation of alpha-cyclodextrin-polyiodide complexes (alpha-cyclodextrin)~2·LiI~3·I~2·8H~2O and (alpha-cyclodextrin)~2·Cd~0~.~5·I~5·26H~2OGhikas, T. C. / Papaioannou, J. C. et al. | 2002
- 681
-
The geometry and forcefield of acetyleneCARTER, STUART / HANDY, NICHOLAS C. et al. | 2002
- 699
-
What is so mysterious about the electronic states of SCl?Machado, Francisco B.C. et al. | 2002
- 699
-
What is so mysterious about the electronic states of SCI?MACHADO, FRANCISCO B. C. / RESENDE, STELLA MARIS / ORNELLAS, FERNANDO R. et al. | 2002
- 705
-
Natural J coupling (NJC) analysis of the electron lone pair effect on NMR couplings: 2. The anomeric effects on 1 J (C, H) couplings and its dependence on solventZACCARI, DANIEL G. / SNYDER, JAMES P. / PERALTA, JUAN E. / TAURIAN, OSCAR E. / CONTRERAS, RUBÉN H. / BARONE, VERÓNICA et al. | 2002
- 717
-
Extended Hartree—Fock (EHF) theory of chemical reactions VI: hybrid DFT and post-Hartree—Fock approaches for concerted and non-concerted transition structures of the Diels—Alder reactionISOBE, H. / TAKANO, Y. / KITAGAWA, Y. / KAWAKAMI, T. / YAMANAKA, S. / YAMAGUCHI, K. / HOUK, K. N. et al. | 2002
- 729
-
A CASCI-MRMP method based on Kohn—Sham orbitalsNAKAO, YOSHIHIDE / CHOE, YOONG-KEE / NAKAYAMA, KENICHI / HIRAO, KIMIHIKO et al. | 2002
- 747
-
Multiconfigurational second-order perturbation calculation of the electronic absorption spectrum of trisilane, Si3H8PIQUERAS, MARI CARMEN / CRESPO, RAÜL / MICHL, JOSEF et al. | 2002
- 757
-
Electron pairs, localized orbitals and electron correlationBYTAUTAS, LAIMUTIS / RUEDENBERG, KLAUS et al. | 2002
- 783
-
Assessment of parametrized core correlation schemes in Gaussian-3 theoryREDFERN, PAUL C. / CURTISS, LARRY A. / RAGHAVACHARI, KRISHNAN et al. | 2002
- 791
-
Quantum chemical modelling of reactivity and selectivity of 1, 2-dithiolanes towards retroviral and cellular zinc fingersTOPOL, IGOR A. / NEMUKHIN, ALEXANDER V. / BURT, STANLEY K. et al. | 2002
- 799
-
Interatomic interactions and the Cotton—Mouton effect for heliumRIZZO, ANTONIO / RUUD, KENNETH / BISHOP, DAVID M. et al. | 2002
- 809
-
Electronic states and transitions of the TeX (X = Cl, Br, I) radicalsRai, V. / Liebermann, H.-P. / Buenker, R. J. / Alekseyev, A. B. / Zellner, R. et al. | 2002
- 809
-
Electronic states and transitions of the TeX (X = C1, Br, I) radicalsRAI, VIDISHA / LIEBERMAN, HEINZ-PETER / BUENKER, ROBERT J. / ALEKSEYEV, ALEKSEY B. / ZELLNER, REINHARD et al. | 2002
- 809
-
Electronic states and transitions of the TeX (XRai, Vidisha et al. | 2002
- 821
-
Trends in the electronic and vibrational contributions to the dipole moment, polarizabilities, and first and second hyperpolarizabilities of the hydrides of Li, Na and KAVRAMOPOULOS, A. / PAPADOPOULOS, M. G. et al. | 2002
- 835
-
Vertical ionization potentials of ethylene: the right answer for the right reason?YAU, ANTHONY D. / PERERA, S. AJITH / BARTLETT, RODNEY J. et al. | 2002
- 843
-
Ab initio model potentials for the alkaline-earth trimers Be3, Mg3, and Ca3KAPLAN, I. G. / MURRELL, J. N. / ROSZAK, S. / LESZCZYNSK, J. et al. | 2002
- 851
-
The correcting method for the estimation of correlation energies of MF2 (M = Be, Mg, Ca) set moleculesZHUO, SHUPING / WEI, JICHONG / JU, GUANZHI et al. | 2002
- 851
-
The correcting method for the estimation of correlation energies of MF2 (MZhuo, Shuping et al. | 2002
- 859
-
On the application of Brillouin—Wigner perturbation theory to multireference configuration mixingHUBAČ, I. / MACH, P. / WILSON, S. et al. | 2002
- 865
-
Theoretical investigation of the transition states leading to HCl elimination in 2-chloropropeneParsons, Bradley F. et al. | 2002
- 865
-
Theoretical investigation of the transition states leading to HCI elimination in 2-chloropropenePARSONS, BRADLEY F. / BUTLER, LAURIE J. / RUSCIC, BRANKO et al. | 2002
- 875
-
Ab initio study of superoxide anion—water clusters O2 − (H2O)n=1-5LEE, HAN MYOUNG / KIM, KWANG S. et al. | 2002
- 875
-
Ab initio study of superoxide anion-water clusters O-2 (H2O) nLee, Han Myoung et al. | 2002
- 881
-
Isotope effect and cluster size dependence for water and hydrated hydrogen halide clusters: multi-component molecular orbital approachTACHIKAWA, MASANORI et al. | 2002
- 903
-
Quasi diabatic CASSCF state functionsFÜLSCHER, MARKUS P. / SERRANO-ANDRÉS, LUIS et al. | 2002
- 911
-
Full configuration interaction studies of phonon and photon transition rates in semiconductor quantum dotsBRASKÉN, M. / CORNI, S. / LINDBERG, M. / OLSEN, J. / SUNDHOLM, D. et al. | 2002
- 919
-
Efficiency of a controlled use of Davidson's correction for the calculation of excitation energies: vertical spectrum of trans-butadieneCABRERO, JESÚS / CABALLOL, ROSA / MALRIEU, JEAN-PAUL et al. | 2002
- 927
-
Structural and response functions at equilibrium in path-integral quantum simple fluidsSESÉ, LUIS M. et al. | 2002
- 941
-
Solid-liquid phase transition in small water clusters: a molecular dynamics simulation studyEGOROV, ANDREI V. / BRODSKAYA, ELENA N. / LAAKSONEN, AATTO et al. | 2002
- 953
-
Magnetic field effect on the H2CS fluorescence from the first excited singlet state Ã1A2MAKAROV, VLADIMIR I. et al. | 2002
- 953
-
Magnetic field effect on the H2CS fluorescence from the first excited singlet state ~A1A2Makarov, Vladimir I. et al. | 2002
- 971
-
Two-dimensional nutation exchange NQR spectroscopy: direct determination of rotational anglesSINYAVSKY, N. / NIKOLAEV, D. / MAĆKOWIAK, M. et al. | 2002
- 981
-
High resolution FTIR spectra and analysis of the nu~1~1 fundamental and of the nu~2 + nu~1~1, nu~5 + nu~1~2 and nu~7 + nu~1~6 combination bands of ^1^2C~6D~6Snels, M. / Hollenstein, H. / Quack, M. / Cane, E. / Miani, A. / Trombetti, A. et al. | 2002
- 981
-
High resolution FTIR spectra and analysis of the ν11 fundamental and of the ν2 + ν11, ν5 + ν12 and ν7 + ν16 combination bands of 12C6D6SNELS, MARCEL / HOLLENSTEIN, HANS / QUACK, MARTIN / CANÉ, ELISABETTA / MIANI, ANDREA / TROMBETTI, AGOSTINO et al. | 2002
- 981
-
High resolution FTIR spectra and analysis of the n1 fundamental and of the n2 + n11, n5 + n12 and n7 + n16 combination bands of 12C6D6Snels, Marcel et al. | 2002
- 1003
-
Fourier path integral Monte Carlo study of a two-dimensional model quantum monolayerORTIZ, VANESSA / LÓPEZ, GUSTAVO E. et al. | 2002
- 1011
-
Some properties of electronic non-adiabatic coupling termsAVERY, JOHN / BAER, MICHAEL / BILLING, GERT D. et al. | 2002
- 1017
-
Coulomb interactions in a computer simulation of a system periodic in two directionsGRZYBOWSKI, A. / BRÓDKA, A. et al. | 2002
- 1025
-
Analytical representations for the radial distribution functions of mixtures of adhesive spheresTUTSCHKA, CHRISTIAN / KAHL, GERHARD / RIEGLER, ERWIN et al. | 2002
- 1033
-
A SAFT model for associating Lennard-Jones chain mixturesTANG, YIPING et al. | 2002
- 1049
-
Rotational energy relaxation in CH4 and CH4-He, Ar collisions calculated from coherent and stimulated Raman spectroscopy dataSTREKALOV, MIKHAIL L. et al. | 2002
- 1057
-
How does protonation affect the electron density of ozone?XENIDES, DEMETRIOS / MAROULIS, GEORGE et al. | 2002
- 1063
-
Magnetic field effects on the pyrene—dicyanobenzene system: determination of electron self-exchange rates by MARY spectroscopyGRAMPP, G. / JUSTINEK, M. / LANDGRAF, S. et al. | 2002
- 1071
-
Singlet—triplet oscillations of spin-correlated radical pairs due to the Larmor precession in low magnetic fieldsBAGRYANSKY, V. A. / BOROVKOV, V. I. / MOLIN, Yu. N. et al. | 2002
- 1079
-
Exciplex parameters: key factors in the dielectric behaviour of magnetodynamicsBANDYOPADHYAY, SUCHANDRA / SEN, KAKALI / CHOUDHURY, SHARMISTHA DUTTA / BASU, SAMITA et al. | 2002
- 1085
-
Magnetic orientation of carbon nanotubes at temperatures of 231 K and 314 KFUJIWARA, M. / KAWAKAMI, K. / TANIMOTO, Y. et al. | 2002
- 1089
-
Magnetic field effects on electron transfer reactions involving sextet-spin (SMori, Yukie et al. | 2002
- 1089
-
Magnetic field effects on electron transfer reactions involving sextet-spin (S = 5/2) intermediates generated on photoexcitation of a Cr(III)-porphyrin complexMORI, YUKIE / HOSHINO, MIKIO / HAYASHI, HISAHARU et al. | 2002
- 1099
-
Re-examination of the magnetic field effects on the thermal reactions of benzyl and pentafluorobenzyl halides with n-butyllithium in hexaneWAKASA, MASANOBU / HAYASHI, HISAHARU et al. | 2002
- 1107
-
Unusual spin transitionsOVCHARENKO, V. I. / FOKIN, S. V. / ROMANENKO, G. V. / IKORSKII, V. N. / TRETYAKOV, E. V. / VASILEVSKY, S. F. / SAGDEEV, R. Z. et al. | 2002
- 1117
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Experimental and theoretical studies of the effects of collisions and magnetic fields on quantum beatCHANG, C. H. / HUANG, CHENG-LIANG / NI, CHI-KUNG / DAI, H. L. / HAYASHI, M. / LIANG, K. K. / KUNG, ANDY / CHEN, I. C. / LIN, S. H. et al. | 2002
- 1129
-
Magnetic field dependence of spin dynamics of radical pairs studied by time-resolved RYDMRSAKAGUCHI, YOSHIO et al. | 2002
- 1137
-
A laser flash photolysis study of the dynamic behaviour of radical pairs in micellar solutions under ultrahigh magnetic fields of up to 30 TNISHIZAWA, KIYOSHI / SAKAGUCHI, YOSHIO / ABE, HARUO / KIDO, GIYUU / HAYASHI, HISAHARU et al. | 2002
- 1147
-
Doppler-free two-photon absorption spectroscopy of trans-glyoxal under magnetic fields up to 6TMISONO, MASATOSHI / WANG, JINGUO / OKUBO, MITSUSHI / KASAHARA, SHUNJI / KATÔ, HAJIME / BABA, MASAAKI et al. | 2002
- 1155
-
Magnetochiral anisotropyRIKKEN, G. L. J. A. / RAUPACH, E. / KRSTIĆ, V. / ROTH, S. et al. | 2002
- 1161
-
Doppler-free high resolution spectroscopy of carbon disulphide and the effects of a magnetic fieldKIMURA, YASUYUKI / DOI, ATSUSHI / MISONO, MASATOSHI / KASAHARA, SHUNJI / KATÔ, HAJIME / BABA, MASAAKI / NAGAKURA, SABURO et al. | 2002
- 1171
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Theoretical and experimental studies of chemically induced electron-nuclear polarization in low magnetic fieldsFEDIN, M. V. / YASHIRO, H. / PURTOV, P. A. / BAGRYANSKAYA, E. G. / FORBES, M. D. E. et al. | 2002
- 1181
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Low field RYDMR: effects of orthogonal static and oscillating magnetic fields on radical recombination reactionsWOODWARD, JONATHAN R. / TIMMEL, CHRISTIANE R. / HORE, P. J. / McLAUCHLAN, KEITH A. et al. | 2002
- 1187
-
Time resolved CIDNP study of electron transfer reactions in proteins and model compoundsMOROZOVA, O. B. / YURKOVSKAYA, A. V. / TSENTALOVICH, Yu. P. / FORBES, M. D. E. / HORE, P. J. / SAGDEEV, R. Z. et al. | 2002
- 1197
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Investigation of the magnetic field dependence of CIDNP in multinuclear radical pairs. 1. Photoreaction of histidine and comparison of model calculation with experimental dataIVANOV, K. L. / LUKZEN, N. N. / VIETH, H.-M. / GROSSE, S. / YURKOVSKAYA, A. V. / SAGDEEV, R. Z. et al. | 2002
- 1209
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Spin relaxation in acyl radicals measured using spin correlated radical pair (SCRP) polarization in flexible biradicalsTSENTALOVICH, YURI P. / FORBES, MALCOLM D. E. et al. | 2002
- 1215
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Magnetic field dependence of the deactivation rates of triplet azocumene in solutionMILIKISYANTS, SERGEJ / KATSUKI, AKIO / STEINER, ULRICH / PAUL, HENNING et al. | 2002
- 1225
-
Time resolved ESR study on energy difference of quartet and doublet states in radical-triplet encounter pairsKAWAI, AKIO / WATANABE, YASUYUKI / SHIBUYA, KAZUHIKO et al. | 2002
- 1235
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Biphotonic photochemistry of benzophenones in dimethylsulphoxide: a flash photolysis EPR studyWOODWARD, JONATHAN R. / LIN, TIEN-SUNG / SAKAGUCHI, YOSHIO / HAYASHI, HISAHARU et al. | 2002
- 1245
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Magnetic field and spin effects from sequential p-type and d-type triplet mechanismsKATSUKI, A. / KOBORI, Y. / TERO-KUBOTA, S. / MILIKISYANTS, S. / PAUL, H. / STEINER, U. E. et al. | 2002
- 1261
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Low field CIDNP of amino acids and proteins: characterization of transient radicals and NMR sensitivity enhancementLYON, CHARLES E. / LOPEZ, JAKOB J. / CHO, BYUNG-MUN / HORE, P. J. et al. | 2002
- 1271
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Influence of large magnetic fields on non-radiative transitions from the A state of thiophosgeneSARKAR, NILMONI / SISK, WADE N. / IKEDA, SHIGERU / HAYASHI, HISAHARU et al. | 2002
- 1281
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Sixth Triennial Congress of the World Association of Theoretically Oriented Chemists (WATOC) Lugano, Switzerland| 2002
- 1283
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Magnetic field effects on the hydrogen abstraction reaction of triplet 4-methoxybenzophenone with thiophenol as studied by a picosecond laser flash photolysis techniqueMORINO, ISAMU / WAKASA, MASANOBU / HAYASHI, HISAHARU et al. | 2002
- 1291
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Magnetoresonant softening of solidsGOLOVIN, YURI / MORGUNOV, ROMAN / BASKAKOV, ALEXANDER et al. | 2002
- 1297
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The influence of electron donors and acceptors on the isomer distribution in the photolysis of β-iononePOLYAKOV, N. E. / LESHINA, T. V. et al. | 2002
- 1297
-
The influence of electron donors and acceptors on the isomer distribution in the photolysis of b-iononePolyakov, N.E. et al. | 2002
- 1297
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The influence of electron donors and acceptors on the isomer distribution in the photolysis of beta-iononePolyakov, N. E. / Leshina, T. V. et al. | 2002
- 1303
-
The fast and slow rotation approximations for the description of the kinetics of triplet radical quenching and electron spin polarizationSHUSHIN, A. I. et al. | 2002
- 1311
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Light induced radical pair intermediates in photosynthetic reaction centres in contact with an observer spin label: spin dynamics and effects on transient EPR spectraSALIKHOV, KEV M. / ZECH, STEPHAN G. / STEHLIK, DIETMAR et al. | 2002
- 1323
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Exploring complex CIDEP of p-benzosemiquinones with time resolved CW-EPRJÄGER, MARTIN / YU, BRIAN C. / NORRIS, JAMES R.JR et al. | 2002
- 1333
-
Magnetic effects on the dynamics of organic triplets in the level anti-crossing regionYANG, TRAN-CHIN / SLOOP, DAVID J. / WEISSMAN, S. I. / LIN, TIEN-SUNG et al. | 2002
- 1341
-
Observation and reaction control of a singlet born radical pair formed photochemically in an SDS micelle by pulsed microwave irradiationKAGEYAMA, ATSUSHI / YASHIRO, HARUHIKO / MURAI, HISAO et al. | 2002
- 1349
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A quantitative analysis of recombination data in high magnetic fieldsPEDERSEN, J. BOIDEN / HANSEN, MARTIN J. / NEUFELD, ANATOLE A. / WAKASA, MASANOBU / HAYASHI, HISAHARU et al. | 2002
- 1355
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Magnetic field effects on the reaction of the photoexcited triplet of 2-methyl-1,4-naphthoquinone in SDS micellar solution containing the 4-(lauroylamino)-TEMPO radicalCHEN, JIAFU / MORI, YUKIE / SAKAGUCHI, YOSHIO / HAYASHI, HISAHARU et al. | 2002
- 1365
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Photochemical sensitization and magnetic field effect on aerosol particle formation from a gaseous mixture of glyoxal and acroleinMORITA, HIROSHI / OHMURO, HIYORI et al. | 2002
- 1371
-
Coherent control of nuclear spin isomers of molecules: the role of molecular motionCHAPOVSKY, P. L. et al. | 2002
- 1379
-
Radical cations of n-alkanes in irradiated solutions as studied by time-resolved magnetic field effectsBOROVKOV, V. I. / BAGRYANSKY, V. A. / YELETSKIKH, I. V. / MOLIN, YU. N. et al. | 2002
- 1385
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Excited high spin states of novel π conjugated verdazyl radicals: photoinduced spin alignment utilizing the excited molecular fieldTEKI, Y. / NAKATSUJI, M. / MIURA, Y. et al. | 2002
- 1385
-
Excited high spin states of novel pi conjugated verdazyl radicals: photoinduced spin alignment utilizing the excited molecular fieldTeki, Y. et al. | 2002
- 1395
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Photoinduced intramolecular electron transfer reactions in fullerene—phenothiazine linked compounds: effects of magnetic field and spacer chain lengthYONEMURA, HIROAKI / NODA, MASAKAZU / HAYASHI, KAZUYA / TOKUDOME, HIROMASA / MORIBE, SHINYA / YAMADA, SUNAO et al. | 2002
- 1405
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Chain length dependence of high magnetic field effects on lifetimes of radical ion pairs linked by a methylene chain: interpretation by both spin—lattice and spin—spin relaxationsFUJIWARA, YOSHIHISA / HAMADA, JUN / AOKI, TAKESHI / SHIMIZU, TAKASHI / TANIMOTO, YOSHIFUMI / YONEMURA, HIROAKI / YAMADA, SUNAO / UJIIE, TOMOMI / NAKAMURA, HIROSHI et al. | 2002
- 1413
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Solvent effects on the intrinsic enhancement factors of the triplet exciplex generated by photoinduced electron transfer reaction between eosin Y and duroquinoneTACHIKAWA, TAKASHI / KOBORI, YASUHIRO / AKIYAMA, KIMIO / KATSUKI, AKIO / USUI, YOSHIHARU / STEINER, ULRICH E. / TERO-KUBOTA, SHOZO et al. | 2002
- 1421
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On the applicability of the average exchange model for electron spin polarization phenomenaNEUFELD, ANATOLE A. / CHRISTENSEN, MICHAEL / PEDERSEN, J. BOIDEN et al. | 2002
- 1431
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The magnetic field dependence of the electron spin polarization in consecutive spin correlated radical pairs in type I photosynthetic reaction centresKANDRASHKIN, YU. E. / VOLLMANN, W. / STEHLIK, D. / SALIKHOV, K. / VAN DER EST, A. et al. | 2002
- 1445
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Magnetic-field-induced deformation of lipid membranesKURASHIMA, HUTOSHI / ABE, HARUO / OZEKI, SUMIO et al. | 2002
- 1451
-
Determination of the kinetic parameters of radical pairs with heavy atom substitutions in micellar solution by optical detected X and Ku band ESRKitahama, Yasutaka et al. | 2002
- 1451
-
Determination of the kinetic parameters of radical pairs with heavy atom substitutions in micellar solution by optical detected × and Ku band ESRKITAHAMA, YASUTAKA / SAKAGUCHI, YOSHIO et al. | 2002
- 1459
-
Effects of linking chain length and magnetic field on the kinetics of photoprocesses in covalently bonded porphyrin—viologen dyadsLEVIN, PETER P. / SHAFIROVICH, VLADIMIR et al. | 2002
- 1469
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Photocleavage reaction of bromine substituted aromatic acyl compounds studied by CIDEP and transient absorption spectroscopySUZUKI, TOSHIAKI / KANEKO, YUJI / MAEDA, KIMINORI / ARAI, TATSUO / AKIYAMA, KIMIO / TERO-KUBOTA, SHOZO et al. | 2002
- 1477
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Optimal magnetization in liquids, generated by triplet—doublet interactionBLANK, AHARON / LEVANON, HAIM et al. | 2002
- 1489
-
Ground state properties of SHagiwara, Masayuki et al. | 2002
- 1489
-
Ground state properties of S = 1 antiferromagnetic chain systems studied by ESRHAGIWARA, MASAYUKI et al. | 2002
- 1497
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Non-equilibrium molecular dynamics simulation study of the frequency dependent conductivity of a primitive model electrolyte in a nanoporeTANG, YUK WAI / SZALAI, ISTVÁN / CHAN, KWONG-YU et al. | 2002
- 1507
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A simple approximation for fluids with narrow attractive potentialsPINI, D. / PAROLA, A. / REATTO, L. et al. | 2002
- 1517
-
Development of an improved Stillinger-Weber potential for tetrahedral carbon using ab initio (Hartree-Fock and MP2) methodsBARNARD, A. S. / RUSSO, S. P. et al. | 2002
- 1527
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The dipole polarizability of the hydrogen molecular cation HD+ and other isotopomersMOSS, R. E. / VALENZANO, L. et al. | 2002
- 1537
-
Molecular dynamics of the cyanoadamantane clusterKACZOR, K. / KACHEL, A. / GBURSKI, Z. et al. | 2002
- 1543
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Monte Carlo and cell model calculations for the solid—fluid phase behaviour of the triangle-well modelADHIKARI, JHUMPA / KOFKE, DAVID A. et al. | 2002