HistCite - papers citing Rudy Pariser

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#	Date / Author / Journal	LCS	GCS	LCR	CR
4501	1450 PANCIR J, ZAHRADNI.R SEMIEMPIRICAL CALCULATIONS OF SINGLET-TRIPLET AND TRIPLET-TRIPLET TRANSITIONS THEORETICA CHIMICA ACTA. 1969; 14 (5): 426-&	7	16	9	12
4502	1451 ROBERTS HG UNCOUPLED HARTREE-FOCK CALCULATIONS OF RING CURRENT CONTRIBUTION TO CHEMICAL SHIFTS IN CONJUGATED HYDROCARBONS THEORETICA CHIMICA ACTA. 1969; 15 (1): 63-&	4	52	3	22
4503	1452 TAI JC, ALLINGER NL APPLICATION OF VESCF METHOD TO CALCULATION OF ELECTRONIC SPECTRA OF PYRIDINE, PYRROLE, AND FURAN THEORETICA CHIMICA ACTA. 1969; 15 (2): 133-+	5	15	9	24
4504	1453 KRUGLYAK YA, MOZDOR EV STUDY OF ELECTRONIC STRUCTURE OF RADICALS BY CI METHOD .2. GROUND STATE OF BENZYL RADICAL THEORETICA CHIMICA ACTA. 1969; 15 (5): 365-&	5	24	8	21
4505	1454 ARMSTRON.DR, PERKINS PG ELECTRONIC STRUCTURE OF BORON TRIFLUORIDE THEORETICA CHIMICA ACTA. 1969; 15 (5): 413-&	0	46	3	18
4506	1620 EVLETH EM SYSTEMATICS OF ELECTRONIC ABSORPTION SPECTRA OF FUSED 5-6 RING HETEROCYCLICS THEORETICA CHIMICA ACTA. 1970; 16 (1): 22-&	7	54	11	39
4507	1621 CHEESMAN GH, FINNEY AJT, SNOOK IK STUDIES IN HALOGEN-HALOGEN BONDING .1. P-ALPHA MODEL THEORETICA CHIMICA ACTA. 1970; 16 (1): 33-&	1	5	13	63
4508	1622 FERREIRA R, BATES JK CORRESPONDENCE BETWEEN MOLECULAR ORBITAL AND DIFFERENTIAL IONIZATION ENERGIES METHODS .1. HYDROGEN HALIDES THEORETICA CHIMICA ACTA. 1970; 16 (2): 111-&	0	2	8	44
4509	1623 BROWN RD, ROBY KR APPROXIMATE MOLECULAR ORBITAL THEORY FOR INORGANIC MOLECULES .2. METHODS OF EVALUATING BASIC PARAMETERS THEORETICA CHIMICA ACTA. 1970; 16 (3): 194-+	11	43	19	59
4510	1624 BISHOP DM, ITO H SEMI-EMPIRICAL CALCULATIONS ON METHYL SUBSTITUTED AROMATICS THEORETICA CHIMICA ACTA. 1970; 16 (5): 377-&	2	8	12	46
#	Date / Author / Journal	LCS	GCS	LCR	CR
4511	1625 HUY LK COMPARISON OF OMEGA AND PPP TECHNIQUES FOR REACTIVITY CALCULATIONS IN METHYL-SUBSTITUTED NAPHTHALENES THEORETICA CHIMICA ACTA. 1970; 16 (5): 393-&	6	10	6	17
4512	1626 JULG A, BONNET M, OZIAS Y STUDIES OF ELECTRONIC STRUCTURE OF SULPHUR COMPOUNDS .1. THIOPHENE, THIOACETONE, SO2,SO3 THEORETICA CHIMICA ACTA. 1970; 17 (1): 49-&	6	37	6	43
4513	1627 MELGAREJ.M, FRAGA S STUDIES ON ELECTRONIC STRUCTURE OF CONJUGATED SYSTEMS THEORETICA CHIMICA ACTA. 1970; 17 (1): 69-&	1	5	3	14
4514	1628 RAMSEY BG, ITO H SEMIEMPIRICAL MOLECULAR ORBITAL CALCULATIONS ON BORANES .1. RELATION BETWEEN TRANSITIONS IN ARYLBORONIC ACIDS AND ARYLBORANES THEORETICA CHIMICA ACTA. 1970; 17 (3): 188-&	0	4	10	26
4515	1629 BROWN RD, JAMES BH, ODWYER MF MOLECULAR ORBITAL CALCULATIONS ON TRANSITION ELEMENT COMPOUNDS .1. METHOD THEORETICA CHIMICA ACTA. 1970; 17 (4): 264-+	5	21	8	38
4516	1630 DEBRUIJN S THEORETICAL AND PRACTICAL ASPECTS OF ZDO APPROXIMATION THEORETICA CHIMICA ACTA. 1970; 17 (4): 293-&	0	1	9	16
4517	1631 DEBRUIJN S PI-ELECTRON CORRELATION IN ALTERNANT HYDROCARBONS - BONDORDER- BONDLENGTH RELATION, FORCE CONSTANTS AND SPECTROSCOPIC, VIBRATIONAL AND THERMOCHEMICAL BETA-VALUES THEORETICA CHIMICA ACTA. 1970; 18 (1): 34-&	0	1	12	32
4518	1632 TINO J SPIN DENSITY CALCULATIONS IN SEMIEMPIRICAL RESTRICTED AND UNRESTRICTED SCF MO METHODS .1. SPIN DENSITIES AND INTERACTION PARAMETERS IN VARIOUS QUANTUM CHEMICAL METHODS THEORETICA CHIMICA ACTA. 1970; 18 (2): 119-&	8	24	9	28
4519	1633 HAMMOND HA CALCULATION OF EXCITED STATE AND GROUND STATE PROPERTIES OF CONJUGATED HETEROATOMIC MOLECULES USING A SINGLE SCF-LCAO-CI METHOD INCLUDING ORTHO-POLARIZATION THEORETICA CHIMICA ACTA. 1970; 18 (3): 239-&	18	49	12	29
4520	1634 BOLLINI CG, GIAMBIAG.JJ, GIAMBIAG.M, DEGIAMBI.MS A SC METHOD FOR DETERMINING BOND ORDERS IN ALTERNANT HYDROCARBONS THEORETICA CHIMICA ACTA. 1970; 18 (4): 394-&	1	7	3	7
#	Date / Author / Journal	LCS	GCS	LCR	CR
4521	1635 KONISHI H, KATO H, YONEZAWA T ELECTRONIC STRUCTURES OF AMINOPYRIDINES AND THEIR MONO-PROTONATED AND DI-PROTONATED CATIONS THEORETICA CHIMICA ACTA. 1970; 19 (1): 71-&	4	23	6	29
4522	1636 LEIBOVIC.C, CHALVET O CNDO-CI CALCULATION OF ELECTRONIC STRUCTURE AND SPECTRUM AZULENE THEORETICA CHIMICA ACTA. 1970; 19 (1): 102-&	3	7	8	26
4523	1637 JUG K FORMULAS FOR BETABAR-PARAMETERS AND THEIR LIMITATIONS THEORETICA CHIMICA ACTA. 1970; 19 (4): 301-&	1	8	5	28
4524	1638 DEBROUCH.G MOLECULAR ORBITAL STUDIES OF SOME TRANSITION METAL COMPLEXES THEORETICA CHIMICA ACTA. 1970; 19 (4): 310-&	2	30	3	40
4525	1639 MINN FL, HANRATTY AB PARAMETERIZATION IN H2I2 POTENTIAL SURFACE THEORETICA CHIMICA ACTA. 1970; 19 (4): 390-&	1	7	6	40
4526	1813 GAMBA A, TANTARDI.GF, SIMONETT.M APPLICATION OF MIM METHOD TO SPIROCONJUGATED SYSTEMS THEORETICA CHIMICA ACTA. 1971; 20 (1): 12-&	1	5	4	13
4527	1814 SALAHUB DR, SANDORFY C CNDO, INDO AND RCNDO-CI CALCULATIONS ON ELECTRONIC SPECTRA OF SATURATED HYDROCARBONS THEORETICA CHIMICA ACTA. 1971; 20 (3): 227-&	5	64	7	24
4528	1815 TYUTYULK.N, FRATEV F, IVANOVA M QUANTUM CHEMICAL INVESTIGATION OF ELECTRON STRUCTURE, PHYSICAL PROPERTIES AND REACTIVITY OF PI-ELECTRON MOLECULES IN EXCITED SINGLET AND TRIPLET STATES .6. ELECTRON STRUCTURE AND DIPOLE MOMENTS IN EXCITED STATES OF NONALTERNANT HYDROCARBONS THEORETICA CHIMICA ACTA. 1971; 20 (4): 385-&	2	12	7	15
4529	1816 JONG JD, MACLEAN C SEMI-EMPIRICAL CALCULATIONS ON ZFS PARAMETERS OF PHOSPHORESCENT CHARGE- TRANSFER COMPLEXES THEORETICA CHIMICA ACTA. 1971; 21 (1): 98-&	1	1	13	37
4530	1817 ANNO T, TERUYA H SYSTEMATIC DETERMINATION OF SLATER-CONDON PARAMETERS OF ATOMS AND IONS WITH 1S2 2SM 2PN CONFIGURATIONS THEORETICA CHIMICA ACTA. 1971; 21 (2): 127-&	7	17	4	25
#	Date / Author / Journal	LCS	GCS	LCR	CR
4531	1818 SIMON JC, PUJOL L INFLUENCE OF EFFECTIVE NUCLEAR SIGMA AND PI CHARGES ON LCAO-MO-SCF-PI CALCULATIONS - CASE OF COMPLETLY TRANS-LINEAR POLYENES AND FULVENE THEORETICA CHIMICA ACTA. 1971; 21 (2): 191-&	1	2	11	46
4532	1819 FITZGERA.RJ EXTENDED HUCKEL CALCULATIONS OF NEGATIVE SPIN DENSITY THEORETICA CHIMICA ACTA. 1971; 22 (4): 361-&	0	1	3	33
4533	1820 NANDA DN, SUBRAMAN.J, NARASIMH.PT UNRESTRICTED HARTREE-FOCK SPIN DENSITY DISTRIBUTIONS IN NITRO AROMATIC RADICAL ANIONS THEORETICA CHIMICA ACTA. 1971; 22 (4): 369-&	2	14	14	38
4534	1821 STRICKLA.RW, SATURNO AF ANGULARLY CORRELATED 2-ELECTRON REPULSION OPERATORS .1. ONE-CENTER AND 2-CENTER INTEGRALS THEORETICA CHIMICA ACTA. 1971; 22 (4): 386-+	0	0	2	11
4535	1822 FLURRY RL MOLECULAR ORBITAL THEORY OF ELECTRON DONOR-ACCEPTOR COMPLEXES .4. SELF- CONSISTENT LINEAR COMBINATION OF MOLECULAR ORBITALS APPROXIMATION THEORETICA CHIMICA ACTA. 1971; 23 (1): 1-&	2	17	5	20
4536	1823 YOSHIDA Z, KOBAYASH.T SCFMO CALCULATION OF 1-1 CHARGE-TRANSFER COMPLEX BETWEEN BENZENE AND PARA BENZOQUINONE BY VARIABLE INTEGRALS METHOD .2. THEORETICA CHIMICA ACTA. 1971; 23 (1): 67-&	1	11	5	22
4537	1824 BRUGMAN CJM, VANASSEL.NP, RETTSCHN.RP MOLECULES IN MOLECULES CALCULATIONS ON DECACYCLENE THEORETICA CHIMICA ACTA. 1971; 23 (1): 105-&	0	3	3	7
4538	1825 BREEN DL, FLURRY RL SEMI-EMPIRICAL MOLECULAR ORBITAL CALCULATIONS ON SOME TAUTOMERS OF CYTOSINE THEORETICA CHIMICA ACTA. 1971; 23 (2): 138-&	1	17	4	11
4539	1826 JUG K OPERATOR EQUATIONS IN APPROXIMATE MOLECULAR ORBITAL THEORIES THEORETICA CHIMICA ACTA. 1971; 23 (2): 183-&	1	15	4	15
4540	2020 DELRE G, RASTELLI A, MOMICCHI.F ROLE OF CORE REPULSION IN PREDICTION OF ENERGY-LEVELS OF PI-CONFORMERS THEORETICA CHIMICA ACTA. 1972; 23 (4): 316-&	7	13	6	17
#	Date / Author / Journal	LCS	GCS	LCR	CR
4541	2021 GAMBA A, SIMONETT.M, TANTARDI.G APPLICATION OF MIM METHOD TO STUDY OF ELECTRONIC ABSORPTION-BANDS INVOLVING TRIPLET-STATES IN HYDROCARBONS THEORETICA CHIMICA ACTA. 1972; 23 (4): 336-&	2	4	12	37
4542	2022 JUG K, LYKOS PG, MCLEAN AD OPTIMAL DOUBLE-CONFIGURATION STUDY OF LOWEST EXCITED PI STATES OF H2 .2. SIGMA-PI SEPARATION THEORETICA CHIMICA ACTA. 1972; 25 (1): 41-&	0	2	4	8
4543	2023 HINCHLIF.A FURTHER AB-INITIO CALCULATIONS ON ALLYL RADICAL THEORETICA CHIMICA ACTA. 1972; 25 (2): 138-&	0	6	1	7
4544	2024 ANNO T EVALUATION OF ENERGIES OF HYBRIDIZED VALENCE STATES THEORETICA CHIMICA ACTA. 1972; 25 (3): 248-&	0	2	4	8
4545	2025 GOUYET JF, PRAT MT CORRELATION EFFECT ON SINGLETS PIPI TRANSITION ENERGIES OF POLYACENEES THEORETICA CHIMICA ACTA. 1972; 26 (1): 89-&	6	6	5	16
4546	2026 ELLIS RL, JAFFE HH, KUEHNLEN.G USE OF CNDO METHOD IN SPECTROSCOPY .6. FURTHER N-PI TRANSITIONS THEORETICA CHIMICA ACTA. 1972; 26 (2): 131-&	108	501	5	20
4547	2027 BURROWS BL PERTURBATION-THEORY FOR EXCITED-STATES OF MOLECULES .3. THEORETICA CHIMICA ACTA. 1972; 26 (3): 267-&	0	1	0	6
4548	2028 OHNO K, INOKUCHI H SELF-CONSISTENT MOLECULAR FIELD-THEORY FOR AGGREGATES OF NEUTRAL MOLECULES .1. THEORETICA CHIMICA ACTA. 1972; 26 (4): 331-&	0	7	9	53
4549	2029 EDWARDS TG ASSIGNMENTS IN PHOTOELECTRON SPECTROSCOPY USING CNDO/2 METHOD THEORETICA CHIMICA ACTA. 1972; 27 (1): 1-&	0	3	9	39
4550	2030 SINANOGL.O, PAMUK HO SEMIEMPIRICAL MO-ELECTRON CORRELATION METHOD FOR MOLECULES AND CORRELATION ENERGIES OF PI-SYSTEM LINEAR AND POLYCYCLIC HYDROCARBONS THEORETICA CHIMICA ACTA. 1972; 27 (4): 289-&	1	15	3	39
#	Date / Author / Journal	LCS	GCS	LCR	CR
4551	2031 HIGUCHI J EFFECT OF ATOMIC DIPOLE IN SEMIEMPIRICAL CALCULATION OF PI-ELECTRON ENERGY-LEVELS THEORETICA CHIMICA ACTA. 1972; 27 (4): 315-&	0	0	1	16
4552	2032 MORITA H, NAGAKURA S CNDO/2 CALCULATIONS AND CONFIGURATION ANALYSES FOR SOME HYDROGEN-BONDED SYSTEMS THEORETICA CHIMICA ACTA. 1972; 27 (4): 325-&	1	31	8	45
4553	2033 GERMER HA, BECKER RS INTERPRETATION OF PENTACYCLIC AROMATIC HYDROCARBON TRANSITIONS IN TERMS OF COMPOSITE SYSTEM APPROXIMATIONS THEORETICA CHIMICA ACTA. 1972; 28 (1): 1-11	2	4	5	11
4554	2194 KITAURA K, NISHIMOT.K APPLICATION OF RPA THEORY TO CONJUGATED SYSTEMS IN EXCITED-STATES THEORETICA CHIMICA ACTA. 1973; 28 (2): 111-120	7	14	5	17
4555	2195 SMEYERS YG, SIEIRO C SPECTRA AND CONFORMATIONAL-ANALYSIS OF METHYL DERIVATIVES OF BENZOIC- ACIDS THEORETICA CHIMICA ACTA. 1973; 28 (4): 355-361	5	21	6	22
4556	2196 WARREN CH, CHING C THEORETICAL STUDY OF ELECTRONIC-SPECTRUM OF CARBONYL CYANIDE THEORETICA CHIMICA ACTA. 1973; 30 (1): 1-8	0	1	6	20
4557	2197 TANAKA M, TANAKA J RPA METHOD APPLIED TO MOLECULAR-CRYSTALS THEORETICA CHIMICA ACTA. 1973; 30 (1): 81-93	10	14	4	17
4558	2198 SAKAKI S ELECTRONIC-STRUCTURES OF ORGANO-TRANSITION-METAL COMPLEXES .1. SILVER(I)-OLEFIN COMPLEXES THEORETICA CHIMICA ACTA. 1973; 30 (2): 159-167	2	26	4	39
4559	2199 DRIESSLE.F, AHLRICHS R, STAEMMLE.V, KUTZELNI.W AB-INITIO CALCULATIONS ON SMALL HYDRIDES INCLUDING ELECTRON CORRELATION THEORETICA CHIMICA ACTA. 1973; 30 (4): 315-326	0	69	3	31
4560	2200 KITAURA K, NISHIMOT.K APPLICATION OF RPA THEORY TO CONJUGATED SYSTEMS IN EXCITED-STATES .2. LINEAR POLYENES THEORETICA CHIMICA ACTA. 1973; 31 (1): 91-94	5	7	4	12
#	Date / Author / Journal	LCS	GCS	LCR	CR
4561	2201 CREMASCH.P, GAMBA A, SIMONETT.M INFLUENCE OF SOLVATION ON PI]-N AND PI]-PI TRANSITION ENERGIES IN MOLECULES CONTAINING AZA OR CARBONYL GROUPS THEORETICA CHIMICA ACTA. 1973; 31 (2): 155-169	3	23	5	32
4562	2202 CHEN SY, HEDGES RM CALCULATIONS OF SINGLET AND TRIPLET-STATES OF SOME AZABENZENES BY MODIFIED INDO-CI THEORETICA CHIMICA ACTA. 1973; 31 (3): 275-281	3	17	6	24
4563	2203 RIDLEY J, ZERNER M INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP TECHNIQUE FOR SPECTROSCOPY - PYRROLE AND AZINES THEORETICA CHIMICA ACTA. 1973; 32 (2): 111-134	101	1737	9	42
4564	2351 DOWNING JW, MICHL J, JORGENSE.P, THULSTRU.EW SELECTION OF CONFIGURATIONS FOR SCF-CI CALCULATIONS OF SPECTRAL PROPERTIES AND COMPARISON WITH TDHF CALCULATIONS .1. CONVERGENCE TO CCI RESULTS IN PPP CALCULATIONS ON S0-]SX TRANSITIONS IN 6PI-ELECTRON SYSTEMS THEORETICA CHIMICA ACTA. 1974; 32 (3): 203-216	14	39	18	53
4565	2352 NANDA DN, NARASIMH.PT UNRESTRICTED HARTREE-FOCK SPIN-DENSITY CALCULATIONS WITH ORTHOGONALIZED ATOMIC ORBITALS ON AZA AND NITROAROMATIC RADICAL-ANIONS THEORETICA CHIMICA ACTA. 1974; 32 (4): 321-330	0	4	13	42
4566	2353 SCHULTE KW, SCHWEIG A CNDO CI CALCULATIONS ON SECOND-ROW MOLECULES .1. PHOSPHORIN AND THIOPHENE THEORETICA CHIMICA ACTA. 1974; 33 (1): 19-28	9	119	9	43
4567	2354 EGE G, VOGLER H CONJUGATION IN MACROCYCLIC BONDING SYSTEMS .4. CALCULATION OF NONLOCAL PART OF MAGNETIC-SUSCEPTIBILITY AND CHEMICAL-SHIFT OF SYSTEMS WITH DEGENERATE EIGENVALUES - CHEMICAL-SHIFTS OF CIRCUMPOLYACENES THEORETICA CHIMICA ACTA. 1974; 35 (3): 189-202	3	47	6	36
4568	2475 BACHLER V, MARK F, POLANSKY OE APPROXIMATE SOLUTION OF HARTREE-FOCK-EQUATIONS OF INTERACTING MOLECULES IN REGION OF SMALL OVERLAP .1. INTERACTION ENERGY THEORETICA CHIMICA ACTA. 1975; 37 (4): 285-303	0	5	3	25
4569	2476 MATSUOKA O, ITO H RANDOM-PHASE-APPROXIMATION CALCULATIONS ON TRIPLET SPECTRA OF CONJUGATED MOLECULES THEORETICA CHIMICA ACTA. 1975; 39 (2): 111-118	8	20	8	38
4570	2579 CHANDRASEKHAR J, MEHROTRA PK, SUBRAMANIAN S, MANOHARAN PT NDDO MO CALCULATIONS .1. ANALYSIS OF METHOD THEORETICA CHIMICA ACTA. 1976; 41 (3): 243-256	4	20	5	28
#	Date / Author / Journal	LCS	GCS	LCR	CR
4571	2580 RIDLEY JE, ZERNER MC TRIPLET-STATES VIA INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP - BENZENE, PYRIDINE AND DIAZINES THEORETICA CHIMICA ACTA. 1976; 42 (3): 223-236	35	634	11	48
4572	2689 DRIESSLER F, KUTZELNIGG W ANALYSIS OF CHEMICAL BOND .2. EXAMINATION OF SOME SEMIEMPIRICAL METHODS THEORETICA CHIMICA ACTA. 1977; 43 (4): 307-328	4	24	7	39
4573	2690 STEINHAUSER O, SCHUSTER P MULTIPOLE EXPANSION OF DIATOMIC OVERLAP .1. METHOD AND ITS APPLICATION TO LIH, LI2 AND N2 THEORETICA CHIMICA ACTA. 1977; 45 (2): 147-156	0	2	4	12
4574	2691 DEWAR MJS, THIEL W SEMIEMPIRICAL MODEL FOR 2-CENTER REPULSION INTEGRALS IN NDDO APPROXIMATION THEORETICA CHIMICA ACTA. 1977; 46 (2): 89-104	4	151	10	28
4575	2692 KAKITANI T, KAKITANI H APPLICATION OF SELF-CONSISTENT HMO THEORY TO HETERO-CONJUGATED MOLECULES THEORETICA CHIMICA ACTA. 1977; 46 (4): 259-275	2	20	16	88
4576	2826 KROGHJESPERSEN K, RATNER MA APPLICATION OF A SCREENED INDO MODEL (INDO-S) TO SPECTROSCOPIC PROPERTIES OF TCNQ AND ITS ANIONS THEORETICA CHIMICA ACTA. 1978; 47 (4): 283-296	5	21	15	48
4577	2827 KAKITANI T, KAKITANI H EMPIRICAL RELATION BETWEEN OSCILLATOR-STRENGTHS CALCULATED FROM DIPOLE LENGTH AND DIPOLE VELOCITY FORMALISMS IN OPTICAL-ABSORPTION OF CONJUGATED MOLECULES THEORETICA CHIMICA ACTA. 1978; 48 (2): 155-163	1	2	5	18
4578	2828 KLESSINGER M MOLECULAR-ORBITAL CALCULATIONS BASED ON LINEAR COMBINATIONS OF FRAGMENT ORBITALS .1. BASIC THEORY AND INTERPRETATION OF PE SPECTRA OF PI- SYSTEMS THEORETICA CHIMICA ACTA. 1978; 49 (1): 77-92	3	27	10	75
4579	2829 KOLLMAR H PARTITIONING SCHEME FOR ABINITIO SCF ENERGY THEORETICA CHIMICA ACTA. 1978; 50 (3): 235-262	1	50	5	44
4580	2935 FREUND HJ, HOHLNEICHER G CALCULATION OF TRANSITION-METAL COMPOUNDS USING AN EXTENSION OF THE CNDO FORMALISM .1. METHOD OF CALCULATION AND APPLICATION TO MONONUCLEAR,DINUCLEAR, AND TETRANUCLEAR COMPOUNDS THEORETICA CHIMICA ACTA. 1979; 51 (2): 145-162	4	72	1	41
#	Date / Author / Journal	LCS	GCS	LCR	CR
4581	2936 BOLLINI CG, GIAMBIAGI JJ, GIAMBIAGI M, GIAMBIAGI MSD APPLICATION OF THE U(3) SYMMETRIC MATRICES ALGEBRA TO MOLECULAR PROBLEMS THEORETICA CHIMICA ACTA. 1979; 52 (1): 27-35	0	4	3	16
4582	2937 DICK B, HOHLNEICHER G 2-PHOTON SPECTROSCOPY OF DIPOLE-FORBIDDEN TRANSITIONS .1. DIPOLE- FORBIDDEN TRANSITIONS AND DOUBLE EXCITED CONFIGURATIONS IN THE CNDO-CI METHODS THEORETICA CHIMICA ACTA. 1979; 53 (3): 221-251	52	99	38	102
4583	3035 SURJAN PR, KERTESZ M OPTICAL-ROTATORY STRENGTH CALCULATION BY EVALUATING THE GRADIENT MATRIX THROUGH THE EQUATION OF MOTION THEORETICA CHIMICA ACTA. 1980; 55 (2): 103-115	0	4	7	44
4584	3036 SPANGETLARSEN J ON BRIDGING THE GAP BETWEEN EXTENDED HUCKEL AND NDO TYPE LCAO-MO THEORIES THEORETICA CHIMICA ACTA. 1980; 55 (2): 165-172	8	26	6	42
4585	3037 TYUTYULKOV N, KANEV I, CASTANO O, POLANSKY O, BARENTZEN H INFLUENCE OF THE LONG-RANGE COULOMB INTERACTION UPON THE ENERGY- SPECTRUM OF INFINITE POLYENES THEORETICA CHIMICA ACTA. 1980; 55 (3): 207-217	4	18	12	34
4586	3114 CETINA EA, PERKINS PG ELECTRONIC BAND STRUCTURES AND ELECTRONIC-PROPERTIES OF SOME SUBSTITUTED LINEAR POLYENES THEORETICA CHIMICA ACTA. 1981; 58 (4): 257-283	0	4	3	33
4587	3115 BOHM MC, GLEITER R ELECTRONIC-STRUCTURE OF ORGANOMETALLIC COMPOUNDS .12. A CNDO-INDO MOLECULAR-ORBITAL FORMALISM FOR THE ELEMENTS H TO BR THEORY THEORETICA CHIMICA ACTA. 1981; 59 (2): 127-151	5	214	26	111
4588	3116 SANHUEZA JE SOME THEORETICAL REMARKS ABOUT SEMI-EMPIRICAL CALCULATION OF QUADRUPOLAR MOMENTS THEORETICA CHIMICA ACTA. 1981; 60 (2): 143-157	0	1	8	36
4589	3189 CULLEN JM, ZERNER MC A CONSTANT DENOMINATOR PERTURBATION-THEORY FOR MOLECULAR-ENERGY THEORETICA CHIMICA ACTA. 1982; 61 (3): 203-226	1	19	5	47
4590	3276 JUNG C, RISTAU O, JUNG C AN INDO-CI METHOD IN PI-APPROXIMATION FOR THE CALCULATION OF TRANSITION-METAL COMPLEXES WITH ORGANIC-LIGANDS - APPLICATION TO IRON(II)-TRISDIIMINE COMPLEXES THEORETICA CHIMICA ACTA. 1983; 63 (2): 143-159	0	11	10	38
#	Date / Author / Journal	LCS	GCS	LCR	CR
4591	3277 BIGELOW RW, FREUND HJ, DICK B THE T1 STATE OF PARA-NITROANILINE AND RELATED MOLECULES - A CNDO/S STUDY THEORETICA CHIMICA ACTA. 1983; 63 (3): 177-194	0	13	12	64
4592	3278 SPANGETLARSEN J ELECTRONIC STATES OF THE [2N]CYCLOPHANES THEORETICA CHIMICA ACTA. 1983; 64 (3): 187-203	1	8	21	96
4593	3352 ZIVKOVIC TP REPLY TO THE COMMENT ON MORT TREATMENT OF BOND LENGTH ALTERNATION IN CONJUGATED HYDROCARBONS THEORETICA CHIMICA ACTA. 1984; 65 (2): 151-157	0	2	8	27
4594	3353 VOGLER H, BOHM MC THE ELECTRONIC-STRUCTURES OF SOME EXTENDED CONJUGATED ELECTRON- ACCEPTORS WITHIN THE HARTREE-FOCK APPROXIMATION AND BEYOND THE MEAN- FIELD APPROACH AS VERIFIED BY THE HARTREE-FOCK INSTABILITIES THEORETICA CHIMICA ACTA. 1984; 66 (1): 51-64	1	10	7	42
4595	3456 KARADAKOV P, CASTANO O AROMATICITY OF ANNULENES AND ANNULENE IONS WITH 4-NU + 2 ELECTRONS FROM THE VIEWPOINT OF THE THEORY OF HARTREE-FOCK INSTABILITIES THEORETICA CHIMICA ACTA. 1986 JUL; 70 (1): 25-34	1	10	11	38
4596	3504 CULBERSON JC, KNAPPE P, ROSCH N, ZERNER MC AN INTERMEDIATE NEGLECT OF DIFFERENTIAL-OVERLAP (INDO) TECHNIQUE FOR LANTHANIDE COMPLEXES - STUDIES ON LANTHANIDE HALIDES THEORETICA CHIMICA ACTA. 1987 MAR; 71 (1): 21-39	10	99	7	72
4597	3512 NAKATSUJI H EXPONENTIALLY GENERATED WAVE-FUNCTIONS AND EXCITED-STATES OF BENZENE THEORETICA CHIMICA ACTA. 1987 APR; 71 (2-3): 201-229	4	20	9	100
4598	3592 TOYOTA A VIOLATION OF HUND RULE IN THE LOWEST EXCITED SINGLET-TRIPLET PAIRS OF DICYCLOHEPTA[CD,GH]PENTALENE AND DICYCLOPENTA[EF,KL]HEPTALENE THEORETICA CHIMICA ACTA. 1988 SEP; 74 (3): 209-217	1	1	7	27
4599	3596 MATOS JMO, ROOS BO A CASSCF STUDY OF THE SINGLET SINGLET AND TRIPLET TRIPLET SPECTROSCOPY OF NAPHTHALENE THEORETICA CHIMICA ACTA. 1988 NOV; 74 (5): 363-379	7	30	18	46
4600	3724 PRASAD RS, RAI BN MRINDO/S-CI CALCULATION ON THE ELECTRONIC-SPECTRA OF HIGHER AZINES THEORETICA CHIMICA ACTA. 1990 JUL; 77 (5): 343-357	0	8	11	32

Date / Author / Journal

LCS

GCS

LCR

4501

1450 PANCIR J, ZAHRADNI.R

SEMIEMPIRICAL CALCULATIONS OF SINGLET-TRIPLET AND TRIPLET-TRIPLET TRANSITIONS

THEORETICA CHIMICA ACTA. 1969; 14 (5): 426-&

4502

1451 ROBERTS HG

UNCOUPLED HARTREE-FOCK CALCULATIONS OF RING CURRENT CONTRIBUTION TO CHEMICAL SHIFTS IN CONJUGATED HYDROCARBONS

THEORETICA CHIMICA ACTA. 1969; 15 (1): 63-&

4503

1452 TAI JC, ALLINGER NL

APPLICATION OF VESCF METHOD TO CALCULATION OF ELECTRONIC SPECTRA OF PYRIDINE, PYRROLE, AND FURAN

THEORETICA CHIMICA ACTA. 1969; 15 (2): 133-+

4504

1453 KRUGLYAK YA, MOZDOR EV

STUDY OF ELECTRONIC STRUCTURE OF RADICALS BY CI METHOD .2. GROUND STATE OF BENZYL RADICAL

THEORETICA CHIMICA ACTA. 1969; 15 (5): 365-&

4505

1454 ARMSTRON.DR, PERKINS PG

ELECTRONIC STRUCTURE OF BORON TRIFLUORIDE

THEORETICA CHIMICA ACTA. 1969; 15 (5): 413-&

4506

1620 EVLETH EM

SYSTEMATICS OF ELECTRONIC ABSORPTION SPECTRA OF FUSED 5-6 RING HETEROCYCLICS

THEORETICA CHIMICA ACTA. 1970; 16 (1): 22-&

4507

1621 CHEESMAN GH, FINNEY AJT, SNOOK IK

STUDIES IN HALOGEN-HALOGEN BONDING .1. P-ALPHA MODEL

THEORETICA CHIMICA ACTA. 1970; 16 (1): 33-&

4508

1622 FERREIRA R, BATES JK

CORRESPONDENCE BETWEEN MOLECULAR ORBITAL AND DIFFERENTIAL IONIZATION ENERGIES METHODS .1. HYDROGEN HALIDES

THEORETICA CHIMICA ACTA. 1970; 16 (2): 111-&

4509

1623 BROWN RD, ROBY KR

APPROXIMATE MOLECULAR ORBITAL THEORY FOR INORGANIC MOLECULES .2. METHODS OF EVALUATING BASIC PARAMETERS

THEORETICA CHIMICA ACTA. 1970; 16 (3): 194-+

4510

1624 BISHOP DM, ITO H

SEMI-EMPIRICAL CALCULATIONS ON METHYL SUBSTITUTED AROMATICS

THEORETICA CHIMICA ACTA. 1970; 16 (5): 377-&

Date / Author / Journal

4511

COMPARISON OF OMEGA AND PPP TECHNIQUES FOR REACTIVITY CALCULATIONS IN METHYL-SUBSTITUTED NAPHTHALENES

THEORETICA CHIMICA ACTA. 1970; 16 (5): 393-&

4512

1626 JULG A, BONNET M, OZIAS Y

STUDIES OF ELECTRONIC STRUCTURE OF SULPHUR COMPOUNDS .1. THIOPHENE, THIOACETONE, SO2,SO3

THEORETICA CHIMICA ACTA. 1970; 17 (1): 49-&

4513

1627 MELGAREJ.M, FRAGA S

STUDIES ON ELECTRONIC STRUCTURE OF CONJUGATED SYSTEMS

THEORETICA CHIMICA ACTA. 1970; 17 (1): 69-&

4514

1628 RAMSEY BG, ITO H

SEMIEMPIRICAL MOLECULAR ORBITAL CALCULATIONS ON BORANES .1. RELATION BETWEEN TRANSITIONS IN ARYLBORONIC ACIDS AND ARYLBORANES

THEORETICA CHIMICA ACTA. 1970; 17 (3): 188-&

4515

1629 BROWN RD, JAMES BH, ODWYER MF

MOLECULAR ORBITAL CALCULATIONS ON TRANSITION ELEMENT COMPOUNDS .1. METHOD

THEORETICA CHIMICA ACTA. 1970; 17 (4): 264-+

4516

1630 DEBRUIJN S

THEORETICAL AND PRACTICAL ASPECTS OF ZDO APPROXIMATION

THEORETICA CHIMICA ACTA. 1970; 17 (4): 293-&

4517

1631 DEBRUIJN S

PI-ELECTRON CORRELATION IN ALTERNANT HYDROCARBONS - BONDORDER- BONDLENGTH RELATION, FORCE CONSTANTS AND SPECTROSCOPIC, VIBRATIONAL AND THERMOCHEMICAL BETA-VALUES

THEORETICA CHIMICA ACTA. 1970; 18 (1): 34-&

4518

1632 TINO J

SPIN DENSITY CALCULATIONS IN SEMIEMPIRICAL RESTRICTED AND UNRESTRICTED SCF MO METHODS .1. SPIN DENSITIES AND INTERACTION PARAMETERS IN VARIOUS QUANTUM CHEMICAL METHODS

THEORETICA CHIMICA ACTA. 1970; 18 (2): 119-&

4519

1633 HAMMOND HA

CALCULATION OF EXCITED STATE AND GROUND STATE PROPERTIES OF CONJUGATED HETEROATOMIC MOLECULES USING A SINGLE SCF-LCAO-CI METHOD INCLUDING ORTHO-POLARIZATION

THEORETICA CHIMICA ACTA. 1970; 18 (3): 239-&

4520

1634 BOLLINI CG, GIAMBIAG.JJ, GIAMBIAG.M, DEGIAMBI.MS

A SC METHOD FOR DETERMINING BOND ORDERS IN ALTERNANT HYDROCARBONS

THEORETICA CHIMICA ACTA. 1970; 18 (4): 394-&

Date / Author / Journal

LCS

GCS

LCR

4521

1635 KONISHI H, KATO H, YONEZAWA T

ELECTRONIC STRUCTURES OF AMINOPYRIDINES AND THEIR MONO-PROTONATED AND DI-PROTONATED CATIONS

THEORETICA CHIMICA ACTA. 1970; 19 (1): 71-&

4522

1636 LEIBOVIC.C, CHALVET O

CNDO-CI CALCULATION OF ELECTRONIC STRUCTURE AND SPECTRUM AZULENE

THEORETICA CHIMICA ACTA. 1970; 19 (1): 102-&

4523

1637 JUG K

FORMULAS FOR BETABAR-PARAMETERS AND THEIR LIMITATIONS

THEORETICA CHIMICA ACTA. 1970; 19 (4): 301-&

4524

1638 DEBROUCH.G

MOLECULAR ORBITAL STUDIES OF SOME TRANSITION METAL COMPLEXES

THEORETICA CHIMICA ACTA. 1970; 19 (4): 310-&

4525

1639 MINN FL, HANRATTY AB

PARAMETERIZATION IN H2I2 POTENTIAL SURFACE

THEORETICA CHIMICA ACTA. 1970; 19 (4): 390-&

4526

1813 GAMBA A, TANTARDI.GF, SIMONETT.M

APPLICATION OF MIM METHOD TO SPIROCONJUGATED SYSTEMS

THEORETICA CHIMICA ACTA. 1971; 20 (1): 12-&

4527

1814 SALAHUB DR, SANDORFY C

CNDO, INDO AND RCNDO-CI CALCULATIONS ON ELECTRONIC SPECTRA OF SATURATED HYDROCARBONS

THEORETICA CHIMICA ACTA. 1971; 20 (3): 227-&

4528

1815 TYUTYULK.N, FRATEV F, IVANOVA M

QUANTUM CHEMICAL INVESTIGATION OF ELECTRON STRUCTURE, PHYSICAL PROPERTIES AND REACTIVITY OF PI-ELECTRON MOLECULES IN EXCITED SINGLET AND TRIPLET STATES .6. ELECTRON STRUCTURE AND DIPOLE MOMENTS IN EXCITED STATES OF NONALTERNANT HYDROCARBONS

THEORETICA CHIMICA ACTA. 1971; 20 (4): 385-&

4529

1816 JONG JD, MACLEAN C

SEMI-EMPIRICAL CALCULATIONS ON ZFS PARAMETERS OF PHOSPHORESCENT CHARGE- TRANSFER COMPLEXES

THEORETICA CHIMICA ACTA. 1971; 21 (1): 98-&

4530

1817 ANNO T, TERUYA H

SYSTEMATIC DETERMINATION OF SLATER-CONDON PARAMETERS OF ATOMS AND IONS WITH 1S2 2SM 2PN CONFIGURATIONS

THEORETICA CHIMICA ACTA. 1971; 21 (2): 127-&

Date / Author / Journal

LCS

GCS

LCR

4531

1818 SIMON JC, PUJOL L

INFLUENCE OF EFFECTIVE NUCLEAR SIGMA AND PI CHARGES ON LCAO-MO-SCF-PI CALCULATIONS - CASE OF COMPLETLY TRANS-LINEAR POLYENES AND FULVENE

THEORETICA CHIMICA ACTA. 1971; 21 (2): 191-&

4532

1819 FITZGERA.RJ

EXTENDED HUCKEL CALCULATIONS OF NEGATIVE SPIN DENSITY

THEORETICA CHIMICA ACTA. 1971; 22 (4): 361-&

4533

1820 NANDA DN, SUBRAMAN.J, NARASIMH.PT

UNRESTRICTED HARTREE-FOCK SPIN DENSITY DISTRIBUTIONS IN NITRO AROMATIC RADICAL ANIONS

THEORETICA CHIMICA ACTA. 1971; 22 (4): 369-&

4534

1821 STRICKLA.RW, SATURNO AF

THEORETICA CHIMICA ACTA. 1971; 22 (4): 386-+

4535

1822 FLURRY RL

MOLECULAR ORBITAL THEORY OF ELECTRON DONOR-ACCEPTOR COMPLEXES .4. SELF- CONSISTENT LINEAR COMBINATION OF MOLECULAR ORBITALS APPROXIMATION

THEORETICA CHIMICA ACTA. 1971; 23 (1): 1-&

4536

1823 YOSHIDA Z, KOBAYASH.T

SCFMO CALCULATION OF 1-1 CHARGE-TRANSFER COMPLEX BETWEEN BENZENE AND PARA BENZOQUINONE BY VARIABLE INTEGRALS METHOD .2.

THEORETICA CHIMICA ACTA. 1971; 23 (1): 67-&

4537

1824 BRUGMAN CJM, VANASSEL.NP, RETTSCHN.RP

MOLECULES IN MOLECULES CALCULATIONS ON DECACYCLENE

THEORETICA CHIMICA ACTA. 1971; 23 (1): 105-&

4538

1825 BREEN DL, FLURRY RL

SEMI-EMPIRICAL MOLECULAR ORBITAL CALCULATIONS ON SOME TAUTOMERS OF CYTOSINE

THEORETICA CHIMICA ACTA. 1971; 23 (2): 138-&

4539

1826 JUG K

OPERATOR EQUATIONS IN APPROXIMATE MOLECULAR ORBITAL THEORIES

THEORETICA CHIMICA ACTA. 1971; 23 (2): 183-&

4540

2020 DELRE G, RASTELLI A, MOMICCHI.F

ROLE OF CORE REPULSION IN PREDICTION OF ENERGY-LEVELS OF PI-CONFORMERS

THEORETICA CHIMICA ACTA. 1972; 23 (4): 316-&

Date / Author / Journal

LCS

GCS

LCR

4541

2021 GAMBA A, SIMONETT.M, TANTARDI.G

APPLICATION OF MIM METHOD TO STUDY OF ELECTRONIC ABSORPTION-BANDS INVOLVING TRIPLET-STATES IN HYDROCARBONS

THEORETICA CHIMICA ACTA. 1972; 23 (4): 336-&

4542

2022 JUG K, LYKOS PG, MCLEAN AD

OPTIMAL DOUBLE-CONFIGURATION STUDY OF LOWEST EXCITED PI STATES OF H2 .2. SIGMA-PI SEPARATION

THEORETICA CHIMICA ACTA. 1972; 25 (1): 41-&

4543

2023 HINCHLIF.A

FURTHER AB-INITIO CALCULATIONS ON ALLYL RADICAL

THEORETICA CHIMICA ACTA. 1972; 25 (2): 138-&

4544

2024 ANNO T

EVALUATION OF ENERGIES OF HYBRIDIZED VALENCE STATES

THEORETICA CHIMICA ACTA. 1972; 25 (3): 248-&

4545

2025 GOUYET JF, PRAT MT

CORRELATION EFFECT ON SINGLETS PIPI TRANSITION ENERGIES OF POLYACENEES

THEORETICA CHIMICA ACTA. 1972; 26 (1): 89-&

4546

2026 ELLIS RL, JAFFE HH, KUEHNLEN.G

USE OF CNDO METHOD IN SPECTROSCOPY .6. FURTHER N-PI TRANSITIONS

THEORETICA CHIMICA ACTA. 1972; 26 (2): 131-&

108

501

4547

2027 BURROWS BL

PERTURBATION-THEORY FOR EXCITED-STATES OF MOLECULES .3.

THEORETICA CHIMICA ACTA. 1972; 26 (3): 267-&

4548

2028 OHNO K, INOKUCHI H

SELF-CONSISTENT MOLECULAR FIELD-THEORY FOR AGGREGATES OF NEUTRAL MOLECULES .1.

THEORETICA CHIMICA ACTA. 1972; 26 (4): 331-&

4549

2029 EDWARDS TG

ASSIGNMENTS IN PHOTOELECTRON SPECTROSCOPY USING CNDO/2 METHOD

THEORETICA CHIMICA ACTA. 1972; 27 (1): 1-&

4550

2030 SINANOGL.O, PAMUK HO

SEMIEMPIRICAL MO-ELECTRON CORRELATION METHOD FOR MOLECULES AND CORRELATION ENERGIES OF PI-SYSTEM LINEAR AND POLYCYCLIC HYDROCARBONS

THEORETICA CHIMICA ACTA. 1972; 27 (4): 289-&

Date / Author / Journal

4551

EFFECT OF ATOMIC DIPOLE IN SEMIEMPIRICAL CALCULATION OF PI-ELECTRON ENERGY-LEVELS

THEORETICA CHIMICA ACTA. 1972; 27 (4): 315-&

4552

2032 MORITA H, NAGAKURA S

CNDO/2 CALCULATIONS AND CONFIGURATION ANALYSES FOR SOME HYDROGEN-BONDED SYSTEMS

THEORETICA CHIMICA ACTA. 1972; 27 (4): 325-&

4553

2033 GERMER HA, BECKER RS

INTERPRETATION OF PENTACYCLIC AROMATIC HYDROCARBON TRANSITIONS IN TERMS OF COMPOSITE SYSTEM APPROXIMATIONS

THEORETICA CHIMICA ACTA. 1972; 28 (1): 1-11

4554

2194 KITAURA K, NISHIMOT.K

APPLICATION OF RPA THEORY TO CONJUGATED SYSTEMS IN EXCITED-STATES

THEORETICA CHIMICA ACTA. 1973; 28 (2): 111-120

4555

2195 SMEYERS YG, SIEIRO C

SPECTRA AND CONFORMATIONAL-ANALYSIS OF METHYL DERIVATIVES OF BENZOIC- ACIDS

THEORETICA CHIMICA ACTA. 1973; 28 (4): 355-361

4556

2196 WARREN CH, CHING C

THEORETICAL STUDY OF ELECTRONIC-SPECTRUM OF CARBONYL CYANIDE

THEORETICA CHIMICA ACTA. 1973; 30 (1): 1-8

4557

2197 TANAKA M, TANAKA J

RPA METHOD APPLIED TO MOLECULAR-CRYSTALS

THEORETICA CHIMICA ACTA. 1973; 30 (1): 81-93

4558

2198 SAKAKI S

ELECTRONIC-STRUCTURES OF ORGANO-TRANSITION-METAL COMPLEXES .1. SILVER(I)-OLEFIN COMPLEXES

THEORETICA CHIMICA ACTA. 1973; 30 (2): 159-167

4559

2199 DRIESSLE.F, AHLRICHS R, STAEMMLE.V, KUTZELNI.W

AB-INITIO CALCULATIONS ON SMALL HYDRIDES INCLUDING ELECTRON CORRELATION

THEORETICA CHIMICA ACTA. 1973; 30 (4): 315-326

4560

2200 KITAURA K, NISHIMOT.K

APPLICATION OF RPA THEORY TO CONJUGATED SYSTEMS IN EXCITED-STATES .2. LINEAR POLYENES

THEORETICA CHIMICA ACTA. 1973; 31 (1): 91-94

Date / Author / Journal

LCS

GCS

LCR

4561

2201 CREMASCH.P, GAMBA A, SIMONETT.M

INFLUENCE OF SOLVATION ON PI]-N AND PI]-PI TRANSITION ENERGIES IN MOLECULES CONTAINING AZA OR CARBONYL GROUPS

THEORETICA CHIMICA ACTA. 1973; 31 (2): 155-169

4562

2202 CHEN SY, HEDGES RM

CALCULATIONS OF SINGLET AND TRIPLET-STATES OF SOME AZABENZENES BY MODIFIED INDO-CI

THEORETICA CHIMICA ACTA. 1973; 31 (3): 275-281

4563

2203 RIDLEY J, ZERNER M

INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP TECHNIQUE FOR SPECTROSCOPY - PYRROLE AND AZINES

THEORETICA CHIMICA ACTA. 1973; 32 (2): 111-134

101

1737

4564

2351 DOWNING JW, MICHL J, JORGENSE.P, THULSTRU.EW

SELECTION OF CONFIGURATIONS FOR SCF-CI CALCULATIONS OF SPECTRAL PROPERTIES AND COMPARISON WITH TDHF CALCULATIONS .1. CONVERGENCE TO CCI RESULTS IN PPP CALCULATIONS ON S0-]SX TRANSITIONS IN 6PI-ELECTRON SYSTEMS

THEORETICA CHIMICA ACTA. 1974; 32 (3): 203-216

4565

2352 NANDA DN, NARASIMH.PT

UNRESTRICTED HARTREE-FOCK SPIN-DENSITY CALCULATIONS WITH ORTHOGONALIZED ATOMIC ORBITALS ON AZA AND NITROAROMATIC RADICAL-ANIONS

THEORETICA CHIMICA ACTA. 1974; 32 (4): 321-330

4566

2353 SCHULTE KW, SCHWEIG A

CNDO CI CALCULATIONS ON SECOND-ROW MOLECULES .1. PHOSPHORIN AND THIOPHENE

THEORETICA CHIMICA ACTA. 1974; 33 (1): 19-28

119

4567

2354 EGE G, VOGLER H

CONJUGATION IN MACROCYCLIC BONDING SYSTEMS .4. CALCULATION OF NONLOCAL PART OF MAGNETIC-SUSCEPTIBILITY AND CHEMICAL-SHIFT OF SYSTEMS WITH DEGENERATE EIGENVALUES - CHEMICAL-SHIFTS OF CIRCUMPOLYACENES

THEORETICA CHIMICA ACTA. 1974; 35 (3): 189-202

4568

2475 BACHLER V, MARK F, POLANSKY OE

APPROXIMATE SOLUTION OF HARTREE-FOCK-EQUATIONS OF INTERACTING MOLECULES IN REGION OF SMALL OVERLAP .1. INTERACTION ENERGY

THEORETICA CHIMICA ACTA. 1975; 37 (4): 285-303

4569

2476 MATSUOKA O, ITO H

RANDOM-PHASE-APPROXIMATION CALCULATIONS ON TRIPLET SPECTRA OF CONJUGATED MOLECULES

THEORETICA CHIMICA ACTA. 1975; 39 (2): 111-118

4570

2579 CHANDRASEKHAR J, MEHROTRA PK, SUBRAMANIAN S, MANOHARAN PT

NDDO MO CALCULATIONS .1. ANALYSIS OF METHOD

THEORETICA CHIMICA ACTA. 1976; 41 (3): 243-256

Date / Author / Journal

LCS

GCS

LCR

4571

2580 RIDLEY JE, ZERNER MC

TRIPLET-STATES VIA INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP - BENZENE, PYRIDINE AND DIAZINES

THEORETICA CHIMICA ACTA. 1976; 42 (3): 223-236

634

4572

2689 DRIESSLER F, KUTZELNIGG W

ANALYSIS OF CHEMICAL BOND .2. EXAMINATION OF SOME SEMIEMPIRICAL METHODS

THEORETICA CHIMICA ACTA. 1977; 43 (4): 307-328

4573

2690 STEINHAUSER O, SCHUSTER P

MULTIPOLE EXPANSION OF DIATOMIC OVERLAP .1. METHOD AND ITS APPLICATION TO LIH, LI2 AND N2

THEORETICA CHIMICA ACTA. 1977; 45 (2): 147-156

4574

2691 DEWAR MJS, THIEL W

SEMIEMPIRICAL MODEL FOR 2-CENTER REPULSION INTEGRALS IN NDDO APPROXIMATION

THEORETICA CHIMICA ACTA. 1977; 46 (2): 89-104

151

4575

2692 KAKITANI T, KAKITANI H

APPLICATION OF SELF-CONSISTENT HMO THEORY TO HETERO-CONJUGATED MOLECULES

THEORETICA CHIMICA ACTA. 1977; 46 (4): 259-275

4576

2826 KROGHJESPERSEN K, RATNER MA

APPLICATION OF A SCREENED INDO MODEL (INDO-S) TO SPECTROSCOPIC PROPERTIES OF TCNQ AND ITS ANIONS

THEORETICA CHIMICA ACTA. 1978; 47 (4): 283-296

4577

2827 KAKITANI T, KAKITANI H

EMPIRICAL RELATION BETWEEN OSCILLATOR-STRENGTHS CALCULATED FROM DIPOLE LENGTH AND DIPOLE VELOCITY FORMALISMS IN OPTICAL-ABSORPTION OF CONJUGATED MOLECULES

THEORETICA CHIMICA ACTA. 1978; 48 (2): 155-163

4578

2828 KLESSINGER M

MOLECULAR-ORBITAL CALCULATIONS BASED ON LINEAR COMBINATIONS OF FRAGMENT ORBITALS .1. BASIC THEORY AND INTERPRETATION OF PE SPECTRA OF PI- SYSTEMS

THEORETICA CHIMICA ACTA. 1978; 49 (1): 77-92

4579

2829 KOLLMAR H

PARTITIONING SCHEME FOR ABINITIO SCF ENERGY

THEORETICA CHIMICA ACTA. 1978; 50 (3): 235-262

4580

2935 FREUND HJ, HOHLNEICHER G

CALCULATION OF TRANSITION-METAL COMPOUNDS USING AN EXTENSION OF THE CNDO FORMALISM .1. METHOD OF CALCULATION AND APPLICATION TO MONONUCLEAR,DINUCLEAR, AND TETRANUCLEAR COMPOUNDS

THEORETICA CHIMICA ACTA. 1979; 51 (2): 145-162

Date / Author / Journal

LCS

GCS

LCR

4581

2936 BOLLINI CG, GIAMBIAGI JJ, GIAMBIAGI M, GIAMBIAGI MSD

APPLICATION OF THE U(3) SYMMETRIC MATRICES ALGEBRA TO MOLECULAR PROBLEMS

THEORETICA CHIMICA ACTA. 1979; 52 (1): 27-35

4582

2937 DICK B, HOHLNEICHER G

2-PHOTON SPECTROSCOPY OF DIPOLE-FORBIDDEN TRANSITIONS .1. DIPOLE- FORBIDDEN TRANSITIONS AND DOUBLE EXCITED CONFIGURATIONS IN THE CNDO-CI METHODS

THEORETICA CHIMICA ACTA. 1979; 53 (3): 221-251

102

4583

3035 SURJAN PR, KERTESZ M

OPTICAL-ROTATORY STRENGTH CALCULATION BY EVALUATING THE GRADIENT MATRIX THROUGH THE EQUATION OF MOTION

THEORETICA CHIMICA ACTA. 1980; 55 (2): 103-115

4584

3036 SPANGETLARSEN J

ON BRIDGING THE GAP BETWEEN EXTENDED HUCKEL AND NDO TYPE LCAO-MO THEORIES

THEORETICA CHIMICA ACTA. 1980; 55 (2): 165-172

4585

3037 TYUTYULKOV N, KANEV I, CASTANO O, POLANSKY O, BARENTZEN H

INFLUENCE OF THE LONG-RANGE COULOMB INTERACTION UPON THE ENERGY- SPECTRUM OF INFINITE POLYENES

THEORETICA CHIMICA ACTA. 1980; 55 (3): 207-217

4586

3114 CETINA EA, PERKINS PG

ELECTRONIC BAND STRUCTURES AND ELECTRONIC-PROPERTIES OF SOME SUBSTITUTED LINEAR POLYENES

THEORETICA CHIMICA ACTA. 1981; 58 (4): 257-283

4587

3115 BOHM MC, GLEITER R

ELECTRONIC-STRUCTURE OF ORGANOMETALLIC COMPOUNDS .12. A CNDO-INDO MOLECULAR-ORBITAL FORMALISM FOR THE ELEMENTS H TO BR THEORY

THEORETICA CHIMICA ACTA. 1981; 59 (2): 127-151

214

111

4588

3116 SANHUEZA JE

SOME THEORETICAL REMARKS ABOUT SEMI-EMPIRICAL CALCULATION OF QUADRUPOLAR MOMENTS

THEORETICA CHIMICA ACTA. 1981; 60 (2): 143-157

4589

3189 CULLEN JM, ZERNER MC

A CONSTANT DENOMINATOR PERTURBATION-THEORY FOR MOLECULAR-ENERGY

THEORETICA CHIMICA ACTA. 1982; 61 (3): 203-226

4590

3276 JUNG C, RISTAU O, JUNG C

AN INDO-CI METHOD IN PI-APPROXIMATION FOR THE CALCULATION OF TRANSITION-METAL COMPLEXES WITH ORGANIC-LIGANDS - APPLICATION TO IRON(II)-TRISDIIMINE COMPLEXES

THEORETICA CHIMICA ACTA. 1983; 63 (2): 143-159

Date / Author / Journal

LCS

GCS

LCR

4591

3277 BIGELOW RW, FREUND HJ, DICK B

THE T1 STATE OF PARA-NITROANILINE AND RELATED MOLECULES - A CNDO/S STUDY

THEORETICA CHIMICA ACTA. 1983; 63 (3): 177-194

4592

3278 SPANGETLARSEN J

ELECTRONIC STATES OF THE [2N]CYCLOPHANES

THEORETICA CHIMICA ACTA. 1983; 64 (3): 187-203

4593

3352 ZIVKOVIC TP

REPLY TO THE COMMENT ON MORT TREATMENT OF BOND LENGTH ALTERNATION IN CONJUGATED HYDROCARBONS

THEORETICA CHIMICA ACTA. 1984; 65 (2): 151-157

4594

3353 VOGLER H, BOHM MC

THE ELECTRONIC-STRUCTURES OF SOME EXTENDED CONJUGATED ELECTRON- ACCEPTORS WITHIN THE HARTREE-FOCK APPROXIMATION AND BEYOND THE MEAN- FIELD APPROACH AS VERIFIED BY THE HARTREE-FOCK INSTABILITIES

THEORETICA CHIMICA ACTA. 1984; 66 (1): 51-64

4595

3456 KARADAKOV P, CASTANO O

AROMATICITY OF ANNULENES AND ANNULENE IONS WITH 4-NU + 2 ELECTRONS FROM THE VIEWPOINT OF THE THEORY OF HARTREE-FOCK INSTABILITIES

THEORETICA CHIMICA ACTA. 1986 JUL; 70 (1): 25-34

4596

3504 CULBERSON JC, KNAPPE P, ROSCH N, ZERNER MC

AN INTERMEDIATE NEGLECT OF DIFFERENTIAL-OVERLAP (INDO) TECHNIQUE FOR LANTHANIDE COMPLEXES - STUDIES ON LANTHANIDE HALIDES

THEORETICA CHIMICA ACTA. 1987 MAR; 71 (1): 21-39

4597

3512 NAKATSUJI H

EXPONENTIALLY GENERATED WAVE-FUNCTIONS AND EXCITED-STATES OF BENZENE

THEORETICA CHIMICA ACTA. 1987 APR; 71 (2-3): 201-229

100

4598

3592 TOYOTA A

VIOLATION OF HUND RULE IN THE LOWEST EXCITED SINGLET-TRIPLET PAIRS OF DICYCLOHEPTA[CD,GH]PENTALENE AND DICYCLOPENTA[EF,KL]HEPTALENE

THEORETICA CHIMICA ACTA. 1988 SEP; 74 (3): 209-217

4599

3596 MATOS JMO, ROOS BO

A CASSCF STUDY OF THE SINGLET SINGLET AND TRIPLET TRIPLET SPECTROSCOPY OF NAPHTHALENE

THEORETICA CHIMICA ACTA. 1988 NOV; 74 (5): 363-379

4600

3724 PRASAD RS, RAI BN

MRINDO/S-CI CALCULATION ON THE ELECTRONIC-SPECTRA OF HIGHER AZINES

THEORETICA CHIMICA ACTA. 1990 JUL; 77 (5): 343-357

papers citing Rudy Pariser Publications by Rudy Pariser and the papers citing R Pariser	Historiographs	Glossary HistCite Guide About Grand Totals: LCS 29242, GCS 189873, CR 195260 Collection span: 1948 - 2011
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