The nature of multiple bonds. II: Significance of the perfect-pairing approximationSCHULTZ, P. A; MESSMER, R. P.Journal of the American Chemical Society. 1993, Vol 115, Num 23, pp 10938-10942, issn 0002-7863Article

Photoinitiated Electron Transfer in Zinc Porphyrin―Perylenediimide Cruciforms and Their Self-Assembled OligomersMICKLEY CONRON, Sarah M; SHOER, Leah E; SMEIGH, Amanda L et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 7, pp 2195-2204, issn 1520-6106, 10 p.Article

Development of a Japanese Adult Female Voxel PhantomSATO, Kaoru; NOGUCHI, Hiroshi; EMOTO, Yutaka et al.Journal of nuclear science and technology. 2009, Vol 46, Num 9, pp 907-913, issn 0022-3131, 7 p.Article

A restricted active space self-consistent field and multireference configuration interaction study of the lifetime of the A ³Π state of SOFÜLSCHER, M. P; JASZUNSKI, M; ROOS, B. O et al.The Journal of chemical physics. 1992, Vol 96, Num 1, pp 504-512, issn 0021-9606Article

Cylindrical manifolds and reactive island kinetic theory in the time domainDE LEON, N.The Journal of chemical physics. 1992, Vol 96, Num 1, pp 285-297, issn 0021-9606Article

Radiative transitions induced by short laser pulses in atomic collisions : nonperturbative study of pulse shape effectsNGUYEN-DANG, T. T; ABOU-RACHID, H.The Journal of chemical physics. 1992, Vol 96, Num 1, pp 256-269, issn 0021-9606Article

Reaction dynamics of D+H₂→DH+H : effects of potential energy surface topography and usefulness of the constant centrifugal potential approximationTAKADA, S; OHSAKI, A; NAKAMURA, H et al.The Journal of chemical physics. 1992, Vol 96, Num 1, pp 339-348, issn 0021-9606Article

A comparative theoretical analysis of the physicochemically dissimilar tetrathiolate- and oxalate-bridged dititanium series, [(Cp₂Ti)₂(μ-C₂X₄)]ⁿ (where X = S, n = 0, 1-, 2-; X = O, n = 0,2+) : an explanation of electron delocalization from the metal centers upon replacement of the oxalate ligand with the tetrathiooxalate ligandHARRIS, H. A; KANIS, D. R; DAHL, L. F et al.Journal of the American Chemical Society. 1991, Vol 113, Num 23, pp 8602-8611, issn 0002-7863Article

A continuous beam of circular Rydberg atoms for fundamental tests and applications in metrologyNUSSENZWEIG, A; HARE, J; STEINBERG, A. M et al.Europhysics letters (Print). 1991, Vol 14, Num 8, pp 755-760, issn 0295-5075Article

A selective INEPT experiment for the assignement of NMR lines of low-gyromagnetic ratio nuclei through long-range couplingsBLECHTA, V; SCHRAML, J.Collection of Czechoslovak chemical communications. 1991, Vol 56, Num 2, pp 258-261, issn 0010-0765Article

A study of the high-pressue phase transition in lithium hydroxide by infrared and raman spectroscopyADAMS, D. M; HAINES, J.Journal of physical chemistry (1952). 1991, Vol 95, Num 18, pp 7064-7067, issn 0022-3654Article

Ab initio examination of the electronic excitation spectrum of CCHKOURES, A. G; HARDING, L. B.Journal of physical chemistry (1952). 1991, Vol 95, Num 3, pp 1035-1040, issn 0022-3654Article

Analysis of the structures, infrared spectra, and raman spectra for the methyl, ethyl, isopropyl, and tert-butyl radicalsPACANSKY, J; KOCH, W; MILLER, M. D et al.Journal of the American Chemical Society. 1991, Vol 113, Num 1, pp 317-328, issn 0002-7863Article

Assessing molecular similarity from results of ab initio electronic structure calculationsCIOSLOWSKI, J; FLEISCHMANN, E. D.Journal of the American Chemical Society. 1991, Vol 113, Num 1, pp 64-67, issn 0002-7863Article

Attempted synthesis of 1,3,5-triphenyl-2,4,9-trithia-1,3,5-triplumbaadamantane. Decomposition of organolead iodidesKOBAYASHI, M; LATOUR, S; WUEST, J. D et al.Organometallics. 1991, Vol 10, Num 8, pp 2908-2913, issn 0276-7333Article

C nuclear magnetic resonance spectra of 3,6-disubstituted pyridazinesHEINISCH, G; HOLZER, W.Canadian journal of chemistry (Print). 1991, Vol 69, Num 6, pp 972-977, issn 0008-4042Article

Calculated hyperpolarisabilities of substituted phenylsilanesMORLEY, J. O.Journal of the Chemical Society. Faraday transactions. 1991, Vol 87, Num 18, pp 3015-3019Article

Calculation of rotational states of flexible molecules using simulated annealingWILSON, S. R; GUARNIERI, F.Tetrahedron letters. 1991, Vol 32, Num 30, pp 3601-3604, issn 0040-4039Article

Calculations for He-like atoms by the Kohn-Sham method with a second-order correlation potentialBOADA, R. L; KARASEV, V. V; LABZOVSKII, L. N et al.Optics and spectroscopy. 1991, Vol 70, Num 1, pp 4-6, issn 0030-400XArticle

Catalytic pathway of serine proteases : classical and quantum mechanical calculationsDAGGETT, V; SCHRÖDER, S; KOLLMAN, P et al.Journal of the American Chemical Society. 1991, Vol 113, Num 23, pp 8926-8935, issn 0002-7863Article

Charge equilibration for molecular dynamics simulationsRAPPE, A. K; GODDARD, W. A.Journal of physical chemistry (1952). 1991, Vol 95, Num 8, pp 3358-3363, issn 0022-3654Article

Classical, microscopic, liquid poisson oscillatorPOWLES, J. G; DORNFORD-SMITH, A; EVANS, W. A. B et al.Physical review letters. 1991, Vol 66, Num 9, pp 1177-1180, issn 0031-9007Article

Coherent hyper-Raman scattering by autoionization states of atoms excited in the plasms of an electric dischargeZHELTIKOV, A. M; IL'YASOV, O. S; KOROTEEV, N. I et al.JETP letters. 1991, Vol 54, Num 3, pp 139-142, issn 0021-3640Article

Cu cluster shell structure at elevated temperaturesCHRISTENSEN, O. B; JACOBSEN, K. W; NØRSKOV, J. K et al.Physical review letters. 1991, Vol 66, Num 17, pp 2219-2222, issn 0031-9007Article

Electronic spectra and photochemical transformation of tertiary butylphethalocyanine in Shpol'skii matricesWEN-HSUNG CHEN; YANG-YAN HU; RIECKHOFF, K. E et al.Spectrochimica acta. Part A : Molecular spectroscopy. 1991, Vol 47, Num 8, pp 1023-1040, issn 0584-8539Article