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Results: 1-25/42
Authors:
LIU RF
ZHOU XF
ZHAI L
Citation: Rf. Liu et al., THEORETICAL INVESTIGATION OF UNIMOLECULAR DECOMPOSITION CHANNELS OF FURAN4, Journal of computational chemistry, 19(2), 1998, pp. 240-249
Authors:
BARRON JR
KELLEY AR
LIU RF
Citation: Jr. Barron et al., NIH2 HAS A SINGLET GROUND-STATE, The Journal of chemical physics, 108(1), 1998, pp. 1-3
Authors:
LIU RF
ZHOU XF
KASMAI H
Citation: Rf. Liu et al., TOWARD UNDERSTANDING THE VIBRATIONAL-SPECTRA OF BEDT-TTF, A SCALED DENSITY-FUNCTIONAL FORCE-FIELD APPROACH, SPECT ACT A, 53(8), 1997, pp. 1241-1256
Authors:
HIGGINS J
ZHOU XF
LIU RF
Citation: J. Higgins et al., DENSITY-FUNCTIONAL THEORY STUDY OF VIBRATIONAL-SPECTRA .9. STRUCTURESAND VIBRATIONAL ASSIGNMENTS OF DICYANOBENZENES, SPECT ACT A, 53(5), 1997, pp. 721-731
Authors:
ZHOU XF
LIU RF
Citation: Xf. Zhou et Rf. Liu, DENSITY-FUNCTIONAL THEORY STUDY OF VIBRATIONAL-SPECTRA .6. ASSIGNMENTOF FUNDAMENTAL VIBRATIONAL FREQUENCIES OF BENZENE ISOMERS - DEWAR BENZENE, BENZVALENE, TRIMETHYLENECYCLOPROPANE, PRISMANE, AND 3,4-DIMETHYLENECYCLOBUTENE, SPECT ACT A, 53(2), 1997, pp. 259-269
Authors:
HIGGINS J
ZHOU XF
LIU RF
Citation: J. Higgins et al., THEORETICAL-STUDY OF THERMAL-DECOMPOSITION MECHANISMS OF ISOXAZOLE, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(39), 1997, pp. 7231-7235
Authors:
HIGGINS J
ZHOU XF
LIU RF
HUANG TTS
Citation: J. Higgins et al., THEORETICAL-STUDY OF THERMAL-DECOMPOSITION MECHANISM OF OXALIC-ACID, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(14), 1997, pp. 2702-2708
Authors:
KASMAI HS
LIU RF
Citation: Hs. Kasmai et Rf. Liu, STRUCTURES OF 9,10-DIHYDRO-9-HETEROANTHRACENES AND 9,10-DIHYDRO-9-HETEROANTHRACENIDE ANIONS - AN AB-INITIO MO CALCULATION, Perkin transactions. 2, (8), 1997, pp. 1605-1608
Authors:
LIU RF
MANDREKAR V
Citation: Rf. Liu et V. Mandrekar, STOCHASTIC SEMILINEAR EVOLUTION-EQUATIONS - LYAPUNOV FUNCTION, STABILITY, AND ULTIMATE BOUNDEDNESS, Journal of mathematical analysis and applications, 212(2), 1997, pp. 537-553
Authors:
FRANCISCO JS
LIU RF
Citation: Js. Francisco et Rf. Liu, AN AB-INITIO STUDY OF OCCN AND OCCN+, The Journal of chemical physics, 107(10), 1997, pp. 3840-3844
Authors:
NWOBI O
HIGGINS J
ZHOU XF
LIU RF
Citation: O. Nwobi et al., DENSITY-FUNCTIONAL CALCULATION OF PHENOXYL RADICAL AND PHENOLATE ANION - AN EXAMINATION OF THE PERFORMANCE OF DFT METHODS, Chemical physics letters, 272(3-4), 1997, pp. 155-161
Authors:
LIU RF
VANBUREN AS
MOODY PR
KRAUSER JA
TATE DR
CLARK JA
Citation: Rf. Liu et al., THEORETICAL-STUDY OF THE STRUCTURE AND VIBRATIONAL-SPECTRUM OF 1,3-DITHIOLE-2-THIONE, SPECT ACT A, 52(3), 1996, pp. 279-286
Authors:
BALL B
ZHOU XF
LIU RF
Citation: B. Ball et al., DENSITY-FUNCTIONAL THEORY STUDY OF VIBRATIONAL-SPECTRA .8. ASSIGNMENTOF FUNDAMENTAL VIBRATIONAL-MODES OF 9,10-ANTHRAQUINONE AND 9,10-ANTHRAQUINONE-D(8), SPECT ACT A, 52(14), 1996, pp. 1803-1814
Authors:
MOLE SJ
ZHOU XF
WARDESKA JG
LIU RF
Citation: Sj. Mole et al., DENSITY-FUNCTIONAL THEORY STUDY OF VIBRATIONAL-SPECTRA ..5. STRUCTURE, DIPOLE-MOMENT, AND VIBRATIONAL ASSIGNMENT OF AZULENE, SPECT ACT A, 52(10), 1996, pp. 1211-1220
Authors:
ZHOU XF
WHEELESS CJM
LIU RF
Citation: Xf. Zhou et al., DENSITY-FUNCTIONAL THEORY STUDY OF VIBRATIONAL-SPECTRA .1. PERFORMANCE OF SEVERAL DENSITY-FUNCTIONAL METHODS IN PREDICTING VIBRATIONAL FREQUENCIES, Vibrational spectroscopy, 12(1), 1996, pp. 53-63
Authors:
ZHOU XF
LIU RF
Citation: Xf. Zhou et Rf. Liu, DENSITY-FUNCTIONAL THEORY STUDY OF VIBRATIONAL-SPECTRA .3. ASSIGNMENTOF FUNDAMENTAL VIBRATIONAL-MODES OF QUADRICYCLANE, Vibrational spectroscopy, 12(1), 1996, pp. 65-71
Authors:
ZHOU XF
MOLE SJ
LIU RF
Citation: Xf. Zhou et al., DENSITY-FUNCTIONAL THEORY STUDY OF VIBRATIONAL-SPECTRA .4. COMPARISONOF EXPERIMENTAL AND CALCULATED FREQUENCIES OF ALL-TRANS-1,3,5,7-OCTATETRAENE - THE END OF NORMAL-COORDINATE ANALYSIS, Vibrational spectroscopy, 12(1), 1996, pp. 73-79
Authors:
LIU RF
MOODY PR
VANBUREN AS
CLARK JA
KRAUSER JA
TATE DR
Citation: Rf. Liu et al., ON ASSIGNMENT OF FUNDAMENTAL VIBRATIONAL-MODES OF HYPOPHOSPHITE ANIONAND ITS DEUTERATED ANALOG, Vibrational spectroscopy, 10(2), 1996, pp. 325-329
Authors:
LIU RF
TATE DR
CLARK JA
MOODY PR
VANBUREN AS
KRAUSER JA
Citation: Rf. Liu et al., DENSITY-FUNCTIONAL THEORY STUDY OF MOLECULAR-STRUCTURES AND VIBRATIONAL-SPECTRA OF 3,4- AND 2,3-PYRIDYNE, Journal of physical chemistry, 100(9), 1996, pp. 3430-3434
Authors:
ZHOU XF
KRAUSER JA
TATE DR
VANBUREN AS
CLARK JA
MOODY PR
LIU RF
Citation: Xf. Zhou et al., THEORETICAL-STUDY OF THE STRUCTURE AND VIBRATIONAL-SPECTRUM OF N,N-DIMETHYLFORMAMIDE, Journal of physical chemistry, 100(42), 1996, pp. 16822-16827
Authors:
MOLE SJ
ZHOU XF
LIU RF
Citation: Sj. Mole et al., DENSITY-FUNCTIONAL THEORY (DFT) STUDY OF ENTHALPY OF FORMATION .1. CONSISTENCY OF DFT ENERGIES AND ATOM EQUIVALENTS FOR CONVERTING DFT ENERGIES INTO ENTHALPIES OF FORMATION, Journal of physical chemistry, 100(35), 1996, pp. 14665-14671
Authors:
LIU RF
MOROKUMA L
MEBEL AM
LIU MC
Citation: Rf. Liu et al., AB-INITIO STUDY OF THE MECHANISM FOR THE THERMAL-DECOMPOSITION OF THEPHENOXY RADICAL, Journal of physical chemistry, 100(22), 1996, pp. 9314-9322
Authors:
LIU RF
CUI Q
DUNN KM
MOROKUMA K
Citation: Rf. Liu et al., AB-INITIO MOLECULAR-ORBITAL STUDY OF THE MECHANISM OF PHOTODISSOCIATION OF TRANS-AZOMETHANE, The Journal of chemical physics, 105(6), 1996, pp. 2333-2345
Authors:
ZHUN I
ZHOU X
LIU RF
Citation: I. Zhun et al., INFRARED-SPECTRUM AND THEORETICAL-STUDY OF THE DINITROGEN PENTOXIDE MOLECULE (N2O5) IN SOLID ARGON - COMMENT, The Journal of chemical physics, 105(24), 1996, pp. 11366-11367
Authors:
WHEELESS CJM
ZHOU XF
LIU RF
Citation: Cjm. Wheeless et al., DENSITY-FUNCTIONAL THEORY STUDY OF VIBRATIONAL-SPECTRA .2. ASSIGNMENTOF FUNDAMENTAL VIBRATIONAL FREQUENCIES OF FULVENE, Journal of physical chemistry, 99(33), 1995, pp. 12488-12492