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Results: 1-25/2451
Authors:
LORENZINI ML
BRUNOBLANCH L
ESTIU GL
Citation: Ml. Lorenzini et al., STRUCTURAL AND ELECTRONIC FACTORS ASSOCIATED WITH THE ACTIVITY IN THEGABA-A SYSTEM, Journal of molecular structure. Theochem, 454(1), 1998, pp. 1-16
Authors:
CHEUNG YS
WONG CK
LI WK
Citation: Ys. Cheung et al., AB-INITIO CALCULATIONS OF THE HEATS OF FORMATION FOR (CH)(6) ISOMERS, Journal of molecular structure. Theochem, 454(1), 1998, pp. 17-24
Authors:
SAMUELS AC
JENSEN JO
HAMEKA HF
Citation: Ac. Samuels et al., THEORETICAL-STUDIES OF THE FLUORESCENCE AND PHOSPHORESCENCE OF TYROSINE, Journal of molecular structure. Theochem, 454(1), 1998, pp. 25-30
Authors:
ZHANG Y
ZHAO CY
FANG WH
LU ZH
Citation: Y. Zhang et al., HIGH-ACCURACY STUDIES ON THE GROUND-STATE AND TRANSITION-STATE OF SIC2, Journal of molecular structure. Theochem, 454(1), 1998, pp. 31-40
Authors:
FORNER W
BADAWI HM
Citation: W. Forner et Hm. Badawi, NORMAL-COORDINATE ANALYSES, VIBRATIONAL ASSIGNMENTS AND BARRIER TO INTERNAL-ROTATION IN ISOCYANATOACETALDEHYDE BASED ON AB-INITIO CALCULATIONS, Journal of molecular structure. Theochem, 454(1), 1998, pp. 41-50
Authors:
CRASTO CJ
STEVENS ED
Citation: Cj. Crasto et Ed. Stevens, USE OF ELECTROSTATIC POTENTIALS TO STUDY NONBONDED INTRAMOLECULAR INTERACTIONS IN 1,8-DISUBSTITUTED NAPHTHALENES WITH CARBONYL GROUPS AS ELECTROPHILIC SUBSTITUENTS, Journal of molecular structure. Theochem, 454(1), 1998, pp. 51-59
Authors:
DING YH
HUANG XR
LI ZS
LIU JY
Citation: Yh. Ding et al., AB-INITIO STUDY ON STRUCTURES AND ENERGETICS OF C3N+ ISOMERS, Journal of molecular structure. Theochem, 454(1), 1998, pp. 61-67
Authors:
PAWLAK J
OLEARY MH
PANETH P
Citation: J. Pawlak et al., ARE MUTATED ENZYMES GOOD MODELS FOR INTERPRETATION OF INTRINSIC ISOTOPE EFFECTS, Journal of molecular structure. Theochem, 454(1), 1998, pp. 69-75
Authors:
BREZA M
Citation: M. Breza, ON NONPLANARITY AND BOND ALTERNATION OF A SIMPLE SHORT-CHAIN PHOSPHAZENE, Journal of molecular structure. Theochem, 454(1), 1998, pp. 77-81
Authors:
TURKER L
Citation: L. Turker, MNDO TREATMENT OF THE HUCKEL AND MOBIUS TYPES OF CYCLACENES, Journal of molecular structure. Theochem, 454(1), 1998, pp. 83-86
Authors:
TONMUNPHEAN S
IRLE S
KOKPOL S
PARASUK V
WOLSCHANN P
Citation: S. Tonmunphean et al., AB-INITIO AND DENSITY-FUNCTIONAL STUDY ON SINGLET AND TRIPLET-STATES OF ARTEMISININ, Journal of molecular structure. Theochem, 454(1), 1998, pp. 87-90
Authors:
ARNASON I
THORARINSSON GK
MATERN E
Citation: I. Arnason et al., CONFORMATIONS OF SILICON-CONTAINING RINGS PART 1 - A CONFORMATIONAL STUDY ON 1,3,5-TRISILACYCLOHEXANE - COMPARISON OF AB-INITIO, SEMIEMPIRICAL, AND MOLECULAR MECHANICS CALCULATIONS - CONFORMATIONAL ENERGY SURFACE OF 1,3,5-TRISILACYCLOHEXANE, Journal of molecular structure. Theochem, 454(1), 1998, pp. 91-102
Authors:
GOWENLOCK BG
BATT L
Citation: Bg. Gowenlock et L. Batt, THE ISOMERIZATION OF NITROSOMETHANE TO FORMALDOXIME, Journal of molecular structure. Theochem, 454(1), 1998, pp. 103-104
Authors:
ZHANG F
LI R
LIN G
Citation: F. Zhang et al., THE ENUMERATION OF HETEROFULLERENES, Journal of molecular structure. Theochem, 453, 1998, pp. 1-6
Authors:
PANKRATOV AN
Citation: An. Pankratov, SEMIEMPIRICAL QUANTUM-CHEMICAL METHODS - TESTING OF THERMODYNAMIC ANDMOLECULAR-PROPERTIES OF CYCLIC NONAROMATIC HYDROCARBONS AND UNSATURATED HETEROCYCLES, Journal of molecular structure. Theochem, 453, 1998, pp. 7-15
Authors:
KUZNETSOV ML
DEMENTIEV AI
KRASNOSHCHOIKOV SV
Citation: Ml. Kuznetsov et al., THEORETICAL-STUDY OF SOME PYRAZOLE DERIVATIVES AND RARE-EARTH-METAL COMPLEXES, Journal of molecular structure. Theochem, 453, 1998, pp. 17-28
Authors:
ELK SB
Citation: Sb. Elk, A MODERN TOPOLOGICAL PERSPECTIVE OF RING COMPOUND TAXONOMY CREATED BYREEXAMINING TAYLORS NOMENCLATURE SYSTEM, Journal of molecular structure. Theochem, 453, 1998, pp. 29-42
Authors:
BU YX
WANG YX
XU FQ
DENG CH
Citation: Yx. Bu et al., DIRECT EVALUATION OF THE ELECTRON-TRANSFER INTEGRAL FOR SELF-EXCHANGEREACTIONS IN SOLUTION, Journal of molecular structure. Theochem, 453, 1998, pp. 43-48
Authors:
MORADIEZ N
MONTERO LA
FABIAN J
Citation: N. Moradiez et al., MOLECULAR-ORBITAL MODELING OF SOLVENT EFFECTS ON EXCITED-STATES OF ORGANIC-MOLECULES, Journal of molecular structure. Theochem, 453, 1998, pp. 49-57
Authors:
YAVARI I
NORISHARGH D
NOROUZIARASI H
HOSSAINITABATABAEI MR
Citation: I. Yavari et al., CONFIGURATIONAL PROPERTIES OF CYCLOPENTADECA-1,2,4,5,7,8,10,11,13,14-DECAENE, Journal of molecular structure. Theochem, 453, 1998, pp. 59-64
Authors:
CHEN ZX
XIAO HM
Citation: Zx. Chen et Hm. Xiao, AB-INITIO STUDY OF THERMODYNAMIC AND KINETIC-PROPERTIES OF TETRAZOLE AND ITS TAUTOMERIZATION, Journal of molecular structure. Theochem, 453, 1998, pp. 65-70
Authors:
WANG FH
ZHU ZH
JING FQ
Citation: Fh. Wang et al., ANALYTIC POTENTIAL-ENERGY FUNCTION FOR DOUBLY-CHARGED IONS BH2+,CH2+ AND NH2+, Journal of molecular structure. Theochem, 453, 1998, pp. 71-75
Authors:
PAKIARI AH
KHOZANI MH
Citation: Ah. Pakiari et Mh. Khozani, ONE-ELECTRON ORBITAL DESCRIPTION OF DOUBLET RADICAL BY FSGO METHOD, Journal of molecular structure. Theochem, 453, 1998, pp. 77-90
Authors:
NYULASZI L
SZIEBERTH D
REFFY J
VESZPREMI T
Citation: L. Nyulaszi et al., H2PCH - A PHOSPHINOCARBENE OR A PHOSPHAACETYLENE - A REVISITED PROBLEM, Journal of molecular structure. Theochem, 453, 1998, pp. 91-95
Authors:
HUCHE M
CENSE JM
LEGENDRE JJ
Citation: M. Huche et al., MODELING OF THE CCK ANTAGONIST ACTIVITY OF BENZODIAZEPINES ON CEREBRAL RECEPTORS, Journal of molecular structure. Theochem, 453, 1998, pp. 97-105