HistCite - papers citing Rudy Pariser

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#	Date / Author / Journal	LCS	GCS	LCR	CR
4401	908 KLESSING.M PARISER-PARR-POPLE-RECHNUNGEN AN MOLEKULEN MIT AMINOGRUPPEN .I. DIE PARAMETER DER AMINOGRUPPEN THEORETICA CHIMICA ACTA. 1966; 5 (3): 236-&	25	42	16	34
4402	909 KLESSING.M PARISER-PARR-POPLE-RECHNUNGEN AN MOKEKULEN MIT AMINOGRUPPEN .2. CYANINE MEROCYANINE UND QUADRUPOL-MEROCYANINE THEORETICA CHIMICA ACTA. 1966; 5 (3): 251-&	21	84	7	32
4403	910 HINCHLIF.A, ALI MA SCF CALCULATION OF SPIN DENSITY DISTRIBUTIONS IN SOME NITRILE RADICAL ANIONS THEORETICA CHIMICA ACTA. 1966; 5 (3): 271-&	5	18	6	11
4404	911 EHRENSON S COMPARISONS OF HUCKEL AND PARISER-PARR-POPLE-TYPE MO METHODS - CLOSED FORMS FOR SCF CHARGE DISTRIBUTIONS AND BOND ORDERS THEORETICA CHIMICA ACTA. 1966; 5 (4): 346-&	3	5	7	22
4405	912 TYUTYULK.N, FRATEV F ANHAND DER METHODE DER KONFIGURATIONENWECHSELWIRKUNG BERECHNETE DIPOLMOMENTE EINIGER NICHTALTERNIERENDER KOHLENWASSERSTOFFE IN ANGEREGTEM INGULETT- UND TRIPLETTZUSTAND THEORETICA CHIMICA ACTA. 1966; 5 (4): 376-&	4	9	3	5
4406	913 LINDNER P, MANNE R, MARTENSS.O SEMIEMPIRICAL CALCULATIONS INVOLVING PI- AND SIGMA-ELECTRONS ON SOME NITROGENCONTAINING HETEROCYCLES THEORETICA CHIMICA ACTA. 1966; 5 (5): 406-&	8	20	15	35
4407	914 POLAK R, PALDUS J AN AB INITIO MODEL CALCULATION OF PI AND SIGMA ELECTRONIC STRUCTURE OF ETHYLENE MOLECULE THEORETICA CHIMICA ACTA. 1966; 5 (5): 422-&	2	11	7	33
4408	915 PERKAMPU.HH, KNOP JV SCF-CI-BERECHNUNGEN AM STILBEN THEORETICA CHIMICA ACTA. 1966; 6 (1): 45-&	11	22	6	20
4409	916 HARRIS FE, REIN R INTEGRAL APPROXIMATIONS FOR MOLECULAR ORBITAL THEORY THEORETICA CHIMICA ACTA. 1966; 6 (1): 73-&	4	38	3	20
4410	917 MANNE R AN APPROXIMATE MO-LCAO-SCF METHOD INCLUDING OVERLAP THEORETICA CHIMICA ACTA. 1966; 6 (4): 299-&	4	28	8	34
#	Date / Author / Journal	LCS	GCS	LCR	CR
4411	918 MANNE R ELECTRONIC STRUCTURE OF CHLORINE TRIFLUORIDE - AN APPROXIMATE MO-LCAO- SCF CALCULATION THEORETICA CHIMICA ACTA. 1966; 6 (4): 312-&	2	19	3	29
4412	919 TANAKA M, NAGAKURA S ELECTRONIC STRUCTURES AND SPECTRA OF ADENINE AND THYMINE THEORETICA CHIMICA ACTA. 1966; 6 (4): 320-&	18	57	10	36
4413	920 HANSEN AE ON EVALUATION OF ELECTRIC AND MAGNETIC DIPOLE TRANSITION MOMENTS IN ZDO APPROXIMATION THEORETICA CHIMICA ACTA. 1966; 6 (4): 341-&	6	22	7	22
4414	1081 SICHEL JM, WHITEHEA.MA ATOMIC PARAMETERS FOR SEMI-EMPIRICAL SCF-LCAO-MO CALCULATIONS THEORETICA CHIMICA ACTA. 1967; 7 (1): 32-&	39	227	12	27
4415	1082 LIM TK, WHITEHEA.MA NON SELF-CONSISTENT FIELD THEORY - A NEW APPROACH IN QUANTUM MECHANICAL CALCULATIONS THEORETICA CHIMICA ACTA. 1967; 7 (1): 48-&	0	4	6	46
4416	1083 DENIS A, PULLMAN A THEORETICAL STUDY OF ELECTRONIC PROPERTIES OF BIOLOGICAL PURINES AND PYRIMIDINES .3. REPRESENTATION OF METHYL GROUP AND STRUCTURE OF THYMINE THEORETICA CHIMICA ACTA. 1967; 7 (2): 110-&	11	43	6	36
4417	1084 KAYA K, NAGAKURA S VACUUM ULTRAVIOLET ABSORPTION SPECTRA OF SIMPLE AMIDES THEORETICA CHIMICA ACTA. 1967; 7 (2): 117-&	1	63	5	22
4418	1085 LINDNER P, MARTENSS.O PI-ELECTRON ENERGIES OF CIS- AND TRANS-STILBENE THEORETICA CHIMICA ACTA. 1967; 7 (2): 150-&	8	12	7	23
4419	1086 LEIBOVIC.C, DESCHAMP.J ETUDE THEORIQUE DES SPECTRES ELECTRONIQUES DE DERIVES A STRUCTURE P QUINONIQUE PAR LA METHODE DE PARISER-PARR-POPLE .2. OXIMES DE LA P BENZOQUINONE THEORETICA CHIMICA ACTA. 1967; 7 (3): 157-&	5	12	5	21
4420	1087 GOLEBIEW.A, PARCZEWS.A STERIC EFFECT IN BIPHENYL ACCORDING TO SC LCAO MO AND LIMITED CI METHODS THEORETICA CHIMICA ACTA. 1967; 7 (3): 171-&	22	59	12	40
#	Date / Author / Journal	LCS	GCS	LCR	CR
4421	1088 NISHIMOT.K ELECTRON INTERACTION IN MOLECULES .2. PI-ELECTRONIC STRUCTURE OF SOME AROMATIC HYDROCARBONS AND THEIR DERIVATIVES THEORETICA CHIMICA ACTA. 1967; 7 (3): 207-&	38	109	18	48
4422	1089 BROWN RD, COLLER BAW THEORETICAL CALCULATION OF ELECTRIC DIPOLE MOMENTS FOR CONJUGATED SYSTEMS THEORETICA CHIMICA ACTA. 1967; 7 (4): 259-&	17	101	23	106
4423	1090 RAZAFIND.E, BESNAINO.S INFLUENCE DE LA LIAISON HYDROGENE INTRAMOLECULAIRE SUR LES BANDES PI- ]PI DE CERTAINES MOLECULES ORGANIQUES . THEORIE ELECTRONIQUE THEORETICA CHIMICA ACTA. 1967; 7 (4): 321-&	5	15	7	34
4424	1091 DAY P A THEORY OF OPTICAL PROPERTIES OF VITAMIN B12 AND ITS DERIVATIVES THEORETICA CHIMICA ACTA. 1967; 7 (4): 328-&	2	35	7	47
4425	1092 LINDNER P, MARTENSS.O A SEMIEMPIRICAL APPROACH TO HYPERCONJUGATION AND APPLICATION TO TOLUENE XYLENES AND MESITYLENE THEORETICA CHIMICA ACTA. 1967; 7 (4): 352-&	21	46	7	26
4426	1093 CIGNITTI M, PAOLONI L ELECTRONIC STRUCTURE OF GROUPS OF ISOMERIC HETERO-AROMATIC SYSTEMS .I. DERIVATIVES OF 1,2,4-OXADIAZOLE THEORETICA CHIMICA ACTA. 1967; 7 (5): 383-&	1	11	5	20
4427	1094 BLOOR JE, GILSON BR, BREARLEY N A COMPARATIVE STUDY OF SCFMO CALCULATIONS ON ALTERNANT AND NONALTERNANT HYDROCARBONS THEORETICA CHIMICA ACTA. 1967; 8 (1): 35-&	31	57	20	51
4428	1095 AMOS AT SELF-CONSISTENT PERTURBATION THEORY FOR CONJUGATED MOLECULES .V. CALCULATION OF BOND POLARIZABILITIES BOND LENGHTS AND FORCE CONSTANTS THEORETICA CHIMICA ACTA. 1967; 8 (2): 91-&	1	6	3	20
4429	1096 ALLINGER NL, TAI JC, STUART TW ELECTRONIC SPECTRA OF UNSATURATED HYDROCARBONS A VESCF-CI TREATMENT THEORETICA CHIMICA ACTA. 1967; 8 (2): 101-&	20	87	12	36
4430	1097 ARMSTRON.DR, PERKINS PG SELF-CONSISTENT MOLECULAR ORBITAL CALCULATIONS ON ORGANOBORON COMPOUNDS .V. TRIARYLBORANES THEORETICA CHIMICA ACTA. 1967; 8 (2): 138-&	2	16	5	13
#	Date / Author / Journal	LCS	GCS	LCR	CR
4431	1098 FLURRY RL, STOUT EW, BELL JJ INCLUSION OF NON-NEAREST NEIGHBOR BETA TERMS IN PARISER-PARR-POPLE TYPE SCMO CALCULATIONS .2. HETEROATOMIC SYSTEMS THEORETICA CHIMICA ACTA. 1967; 8 (3): 203-&	12	39	5	14
4432	1099 TYUTYULK.N, FRATEV F, PETKOV D QUANTENCHEMISCHE UNTERSUCHUNG DER REAKTIONSFAHIGKEIT VON PI-ELEKTRONEN- SYSTEMEN IN ANGEREGTEM SINGULETT- UND TRIPLETTZUSTAND .I. ANDERUNGEN DER BASIZITAT VON KONJUNGIERTEN AMINEN UND N-HALTIGEN HETEROAROMATEN IN ANGEREGTEM ZUSTAND THEORETICA CHIMICA ACTA. 1967; 8 (3): 236-&	4	15	9	25
4433	1100 HOSOYA H, NAGAKURA S ELECTRONIC STRUCTURE AND SPECTRUM OF TROPONE THEORETICA CHIMICA ACTA. 1967; 8 (4): 319-&	4	12	10	29
4434	1101 PUKANIC GW, FORSHEY DR, WEGENER JD, GREENSHI.JB LCAO-MO-SCF-CI SEMI-EMPIRICAL PI-ELECTRON CALCULATIONS ON HETEROAROMATIC SYSTEMS .I. HYDROXY AROMATIC COMPOUNDS THEORETICA CHIMICA ACTA. 1967; 9 (1): 38-&	12	25	19	43
4435	1102 WETTERMA.G, SCHOR R ELECTRONIC STRUCTURE AND SPECTRUM OF GEOMETRIC ISOMERS OF 1,4-DIPHENYL- 1,3-BUTADIENE THEORETICA CHIMICA ACTA. 1967; 9 (1): 57-&	5	15	7	21
4436	1103 STAEMMLE.V, KUTZELNI.W HORIZONTAL CORRELATION IN PI-ELECTRON SYSTEMS AND THEIR DESCRIPTION BY ELECTRON PAIR FUNCTIONS THEORETICA CHIMICA ACTA. 1967; 9 (1): 67-&	2	12	5	43
4437	1104 FIGEYS HP, DEDIEU P AN IMPROVED SEMI-EMPIRICAL HUCKEL-METHOD FOR STUDY OF PHYSICO-CHEMICAL PROPERTIES OF AROMATIC SYSTEMS THEORETICA CHIMICA ACTA. 1967; 9 (1): 82-&	6	33	10	59
4438	1105 FLURRY RL SCMO PI-ELECTRON CALCULATIONS OF SPECTRA AND IONIZATION POTENTIALS OF SOME METHYL SUBSTITUTED BENZENES THEORETICA CHIMICA ACTA. 1967; 9 (1): 96-&	10	22	6	15
4439	1106 SILVER BL SPIN DENSITIES IN SOME SIMPLE PARASEMIQUINONES THEORETICA CHIMICA ACTA. 1967; 9 (2): 192-&	1	5	11	23
4440	1242 BANDO Y, NAGAKURA S ELECTRONIC STRUCTURE AND SPECTRUM OF SILVER(I)PERCHLORATE-PYRIDINE COMPLEX THEORETICA CHIMICA ACTA. 1968; 9 (3): 210-&	1	5	2	24
#	Date / Author / Journal	LCS	GCS	LCR	CR
4441	1243 GALASSO V, DEALTI G, BIGOTTO A ELECTRONIC STRUCTURE AND ABSORPTION SPECTRA OF INDOLIZINES THEORETICA CHIMICA ACTA. 1968; 9 (3): 222-&	4	18	5	18
4442	1244 WAGNIERE G SEMIEMPIRICAL CALCULATIONS ON TRIPLET AND DOUBLET STATES - A COMPARISON BETWEEN RESTRICTED OPEN-SHELL SCF AND LIMITED CONFIGURATION INTERACTION METHOD THEORETICA CHIMICA ACTA. 1968; 9 (4): 312-&	6	10	10	14
4443	1245 KLESSING.M NON-NEIGHBORING MATRIX ELEMENTS IN HMO METHOD THEORETICA CHIMICA ACTA. 1968; 9 (4): 339-&	0	1	5	14
4444	1246 JUNGEN M, LABHART H INTERACTION OF PI AND SIGMA ELECTRONS IN THEORY OF UNSATURATED MOLECULES .I. SEMIEMPIRICAL LCAO-SCF CALCULATIONS FOR PI AND SIGMA ORBITALS OF ACROLEIN AND FURAN THEORETICA CHIMICA ACTA. 1968; 9 (5): 345-+	10	26	10	41
4445	1247 ARMSTRON.DR, PERKINS PG CALCULATION OF SIGMA-]PI' AND PI-]SIGMA' TRANSITIONS IN VINYLBORANES THEORETICA CHIMICA ACTA. 1968; 9 (5): 412-+	0	10	4	10
4446	1248 FLURRY RL, BELL JJ SOME COMMENTS ON PARAMETER CHOICES FOR SCMO CALCULATIONS ON 5 MEMBERED HETEROATOMIC PI-ELECTRON SYSTEMS THEORETICA CHIMICA ACTA. 1968; 10 (1): 1-&	2	7	8	19
4447	1249 KRUGLYAK YA, DYADYUSH.GG TORSION BARRIERS OF END-GROUPS IN CUMULENES .I. GENERAL CONSIDERATION THEORETICA CHIMICA ACTA. 1968; 10 (1): 23-&	1	9	7	35
4448	1250 KWIATKOW.JS ELECTRONIC STRUCTURE AND SPECTRA OF ORGANIC MOLECULES .4. PARISER-PARR- POPLE TYPE CALCULATIONS FOR PURINE AND SOME OF ITS 6-SUBSTITUTED DERIVATIVES THEORETICA CHIMICA ACTA. 1968; 10 (1): 47-&	9	40	15	82
4449	1251 HEDGES RM, PHILLIPS LF ELECTRONIC STRUCTURE OF ANGULAR POLYPHENES THEORETICA CHIMICA ACTA. 1968; 10 (1): 73-&	0	0	4	9
4450	1252 CLARK DT A SELF CONSISTENT FIELD MOLECULAR ORBITAL TREATMENT INCLUDING EXCITED STATES OF CYCLOPROPANE ETHYLENE OXIDE AND ETHYLENIMINE THEORETICA CHIMICA ACTA. 1968; 10 (2): 111-+	8	51	4	37
#	Date / Author / Journal	LCS	GCS	LCR	CR
4451	1253 MOHAMMAD M, SUNDHEIM BR 14N HYPERFINE STRUCTURE OF TRIPHENYLAMINIUM RADICAL IONS THEORETICA CHIMICA ACTA. 1968; 10 (3): 222-&	0	9	8	39
4452	1254 PUKANIC GW, FORSHEY DR, WEGENER JD, GREENSHI.JB LCAO-MO-SCF-CI SEMI-EMPIRICAL PI-ELECTRON CALCULATIONS ON HETEROAROMATIC SYSTEMS .3. AAZINES THEORETICA CHIMICA ACTA. 1968; 10 (3): 240-&	4	13	11	29
4453	1255 STUART TW, ALLINGER NL FURTHER STUDIES ON CONFIGURATION INTERACTION IN MOLECULAR ORBITAL THEORY OF PI-SYSTEMS THEORETICA CHIMICA ACTA. 1968; 10 (3): 247-&	7	14	9	19
4454	1256 LEIBOVIC.C ACROLEIN OXIME THEORETICA CHIMICA ACTA. 1968; 10 (4): 311-&	1	7	5	12
4455	1257 FORD B SEMI-EMPIRICAL LCAO-SCF MOLECULAR ORBITAL CALCULATIONS FOR SELECTED HOMO-SUBSTITUTED BENZENES THEORETICA CHIMICA ACTA. 1968; 10 (4): 342-&	17	32	17	27
4456	1258 CLARK DT PI-INDUCTIVE EFFECT OF AMMONIO (NH+/3) GROUP THEORETICA CHIMICA ACTA. 1968; 10 (4): 352-&	1	2	9	21
4457	1259 HINCHLIF.A, TRINAJST.N CALCULATION OF PROTON COUPLING CONSTANTS FOR DIBENZOTHIOPHENE RADICAL ANION THEORETICA CHIMICA ACTA. 1968; 10 (5): 458-&	5	6	6	25
4458	1260 LAPAGLIA SR FEMO TREATMENT OF ALL TRANS-POLYENES WITH PARAMETRIC ENERGY DEPENDENCES THEORETICA CHIMICA ACTA. 1968; 11 (2): 89-&	0	0	6	21
4459	1261 KUNII TL, KURODA H IONIZATION POTENTIALS AND ELECTRON AFFINITIES OF CARBO- AND HETEROCYCLIC PI-CONJUGATED MOLECULES THEORETICA CHIMICA ACTA. 1968; 11 (2): 97-&	17	81	12	31
4460	1262 EVLETH EM ELECTRONIC STRUCTURES OF PYRIDINE-N-OXIDE AND RELATED COMPOUNDS THEORETICA CHIMICA ACTA. 1968; 11 (2): 145-&	8	56	15	42
#	Date / Author / Journal	LCS	GCS	LCR	CR
4461	1263 RAY NK, NARASIMH.PT UNRESTRICTED HARTREE-FOCK CALCULATIONS OF SPIN DENSITY DISTRIBUTIONS IN RADICAL ANIONS OF SOME HETEROCYCLES DERIVED FROM THIOPHENE FURAN AND PYRROLE THEORETICA CHIMICA ACTA. 1968; 11 (2): 156-&	0	7	9	15
4462	1264 SICHEL JM, WHITEHEA.MA SEMI-EMPIRICAL ALL VALENCE ELECTRONS SCF-MO-CNDO THEORY .2. INTERATOMIC PARAMETERS AND BONDING ENERGIES THEORETICA CHIMICA ACTA. 1968; 11 (3): 220-&	24	205	16	70
4463	1265 SICHEL JM, WHITEHEA.MA SEMI-EMPIRICAL ALL VALENCE ELECTRONS SCF-MO-CNDO THEORY .3. ORBITAL ENERGIES AND IONIZATION POTENTIALS THEORETICA CHIMICA ACTA. 1968; 11 (3): 239-&	12	93	7	65
4464	1266 MORITA H, NAGAKURA S ELECTRONIC ABSORPTION SPECTRA AND ELECTRONIC STRUCTURES OF CYTOSINE ISOCYTOSINE AND THEIR ANIONS AND CATIONS THEORETICA CHIMICA ACTA. 1968; 11 (4): 279-&	7	69	8	34
4465	1267 TINLAND B AN SCF-CI STUDY OF STERIC EFFECTS IN HYDROCARBON MOLECULES CONTAINING PHENYL OR NAPHTYL GROUPS IN RELATION WITH THEIR ELECTRONIC SPECTRA THEORETICA CHIMICA ACTA. 1968; 11 (5): 385-&	5	23	9	26
4466	1268 GALASSO V, DEALTI G ELECTRONIC STRUCTURE AND SPECTRA OF FUSED N/M RING SYSTEMS WITH ONE OR 2 BRIDGEHEAD NITROGEN ATOMS .2. AZAPENTALENES THEORETICA CHIMICA ACTA. 1968; 11 (5): 411-&	1	6	8	16
4467	1269 GALASSO V ELECTRONIC STRUCTURE AND SPECTRA OF FUSED N/M RING SYSTEMS WITH ONE OR 2 BRIDGEHEAD NITROGEN ATOMS .3. QUINOLIZINIUM CATION AND AZA-ANALOGS THEORETICA CHIMICA ACTA. 1968; 11 (5): 417-&	3	12	6	14
4468	1270 TINLAND B A CNDO STUDY OF STERIC EFFECTS IN BIPHENYL THEORETICA CHIMICA ACTA. 1968; 11 (5): 452-&	10	55	7	24
4469	1271 KRUGLYAK YA, DYADYUSH.GG TORSION BARRIERS OF END-GROUPS IN CUMULENES .2. RESULTS OF CALCULATIONS AND DISCUSSION THEORETICA CHIMICA ACTA. 1968; 12 (1): 18-&	4	11	7	41
4470	1272 LEIBOVIC.C THEORETICAL STUDY OF SUBSTITUTED BENZENES .I. MONOALKOXYBENZENES THEORETICA CHIMICA ACTA. 1968; 12 (1): 34-&	6	9	9	23
#	Date / Author / Journal	LCS	GCS	LCR	CR
4471	1273 DENIS A, MALRIEU JP INFLUENCE OF SIGMA SYSTEMS ON PIPI' TRANSITION ENERGIES - A SIMPLE APPLICATION TO SERIES OF LINEAR POLYENES THEORETICA CHIMICA ACTA. 1968; 12 (1): 66-&	1	11	3	13
4472	1274 TINLAND B ELECTRONIC STRUCTURE OF DIOXAZINES THEORETICA CHIMICA ACTA. 1968; 12 (1): 85-&	0	2	5	9
4473	1275 BROWN RD, BURDEN FR OPTIMUM PARAMETRIZATION OF POPLE-SANTRY-SEGAL METHOD OF TREATING ALL VALENCE ELECTRONS THEORETICA CHIMICA ACTA. 1968; 12 (2): 95-+	6	18	4	17
4474	1276 LEVY B, KOCHANSK.E CALCULATION OF DIPOLAR SPIN-SPIN INTERACTION BY DOUBLE PERTURBATION THEORY IN MOLECULES THEORETICA CHIMICA ACTA. 1968; 12 (2): 138-&	2	4	7	31
4475	1277 ADAMS OW, MILLER RL AN IMPROVED LCAO-MO-SCF PI-ELECTRON METHOD .2. HYDROCARBONS AND NITROGEN AND OXYGEN HETEROCYCLES THEORETICA CHIMICA ACTA. 1968; 12 (2): 151-&	9	31	12	45
4476	1278 BUENKER RJ, PEYERIMH.SD CI METHOD FOR STUDY OF GENERAL MOLECULAR POTENTIALS THEORETICA CHIMICA ACTA. 1968; 12 (3): 183-&	1	80	3	21
4477	1279 HENSEN K, SARHOLZ W INVESTIGATIONS ON UV-ABSORPTION SPECTRA OF SOME PYRIDINE ADDITION COMPOUNDS THEORETICA CHIMICA ACTA. 1968; 12 (3): 206-&	0	23	2	26
4478	1280 CIAMPI A, PAOLONI L A SEMIEMPIRICAL METHOD BASED ON GEMINAL FUNCTIONS .I. EXTENSION OF HUCKEL METHOD TO PI- AND N-ELECTRONS THEORETICA CHIMICA ACTA. 1968; 12 (3): 229-&	0	2	4	12
4479	1281 FABIAN J, MEHLHORN A, ZAHRADNI.R PPP-CALCULATIONS AND COMPARISON OF ELECTRONIC SPECTRA OF ISO-PI- ELECTRONIC OXYGEN NITROGEN SULFUR AND SELENIUM HETEROCYCLES THEORETICA CHIMICA ACTA. 1968; 12 (3): 247-&	29	94	10	45
4480	1282 WARREN KD, YANDLE JR SCF-PI-ELECTRON CALCULATIONS USING ORTHOGONALISED ATOMIC ORBITALS .I. AN ASSESSMENT OF A RECENT APPROACH THEORETICA CHIMICA ACTA. 1968; 12 (4): 267-&	2	9	17	39
#	Date / Author / Journal	LCS	GCS	LCR	CR
4481	1283 YAMAGUCH.H, NAKAJIMA T, KUNII TL ELECTRONIC STRUCTURES AND SPECTRA OF NONBENZENOID AROMATIC HYDROCARBONS CONTAINING CYCLOPROPENYL RING THEORETICA CHIMICA ACTA. 1968; 12 (5): 349-&	30	87	10	47
4482	1284 EDWARDS TG, GRINTER R MOLECULES-IN-MOLECULES CALCULATIONS ON SOME CONJUGATED CARBONYL COMPOUNDS THEORETICA CHIMICA ACTA. 1968; 12 (5): 387-&	4	17	7	35
4483	1285 PERKINS PG CALCULATION OF UV SPECTRUM OF P-DISILYLBENZENE THEORETICA CHIMICA ACTA. 1968; 12 (5): 427-&	0	7	2	11
4484	1433 MALRIEU JP, CLAVERIE P, DINER S LOCALIZED BOND ORBITALS AND CORRELATION PROBLEM .2. APPLICATION TO PI- ELECTRON SYSTEMS THEORETICA CHIMICA ACTA. 1969; 13 (1): 18-&	8	189	6	24
4485	1434 BAILEY ML SEMI-EMPIRICAL PI-ELECTRON CALCULATIONS THEORETICA CHIMICA ACTA. 1969; 13 (1): 56-&	27	55	8	45
4486	1435 MISURKIN IA, OVCHINNI.AA ELECTRONIC STRUCTURE OF HIGH PI-ELECTRON SYSTEMS (GRAPHITE POLYACENE CUMULENE) THEORETICA CHIMICA ACTA. 1969; 13 (2): 115-&	4	27	2	12
4487	1436 TINLAND B A CNDO CI STUDY OF ELECTRONIC STRUCTURE AND SPECTRUM OF NITROBENEZENE THEORETICA CHIMICA ACTA. 1969; 13 (2): 171-&	4	13	17	44
4488	1437 FAVINI G, GAMBA A, SIMONETT.M INTERPRETATION OF ELECTRONIC SPECTRA OF AROMATIC HYDROCARBONS BY MOLECULES IN MOLECULES METHOD THEORETICA CHIMICA ACTA. 1969; 13 (3): 175-&	13	33	22	66
4489	1438 KARLSSON G, MARTENSS.O CHARGE INFLUENCE IN SEM-EMPIRICAL CALCULATIONS OF HETEROATOMIC IONIC AND NEUTRAL MOLECULES THEORETICA CHIMICA ACTA. 1969; 13 (3): 195-+	16	58	13	74
4490	1439 SAKAMOTO K, IHAYA YJ ROLE OF DOUBLY EXCITED CONFIGURATIONS IN PI-ELECTRONIC STRUCTURE OF CROCONATE ANION THEORETICA CHIMICA ACTA. 1969; 13 (3): 220-&	3	12	5	14
#	Date / Author / Journal	LCS	GCS	LCR	CR
4491	1440 CHALVET O, LEIBOVIC.C THEORETICAL STUDY OF SUBSTITUTED BENZENES .3. FLUOROBENZENES THEORETICA CHIMICA ACTA. 1969; 13 (4): 297-&	12	20	9	28
4492	1441 KHETRAPA.CL, RAI DK PARISER-PARR-POPLE TYPE SCF-MO-CI CALCULATIONS ON PENTAFLUOROBENZENES THEORETICA CHIMICA ACTA. 1969; 13 (4): 308-&	15	20	6	15
4493	1442 BURNHAM DR SPIN CONTAMINATION IN PPP UNRESTRICTED HARTREE-FOCK WAVE FUNCTIONS THEORETICA CHIMICA ACTA. 1969; 13 (5): 428-&	4	6	5	15
4494	1443 TYUTYULK.N, HIEBAUM G STUDY OF REACTIVITY OF PI-ELECTRON SYSTEMS IN EXCITED SINGLET AND TRIPLET STATES .3. ELECTRONIC STRUCTURE OF AMINODERIVATIVES OF N- CONTAINING HETEROCYCLES IN EXCITED SINGLET AND TRIPLET STATES THEORETICA CHIMICA ACTA. 1969; 14 (1): 39-&	4	14	3	17
4495	1444 CHALVET O, LEIBOVIC.C THEORETICAL STUDY OF SUBSTITUTED BENZENES .4. CHLOROBENZENES THEORETICA CHIMICA ACTA. 1969; 14 (1): 65-&	10	11	10	20
4496	1445 JUG K ON DEVELOPMENT OF SEMIEMPIRICAL METHODS IN MO FORMALISM THEORETICA CHIMICA ACTA. 1969; 14 (2): 91-&	26	91	83	236
4497	1446 EHRENSON S ON DAMPING IN SELF-CONSISTENCY CYCLING PROCEDURES THEORETICA CHIMICA ACTA. 1969; 14 (2): 136-&	0	12	4	19
4498	1447 HAUPT A, HOYTINK GJ CONFIGURATION INTERACTION CALCULATIONS ON DINEGATIVE ION OF CORONENE THEORETICA CHIMICA ACTA. 1969; 14 (3): 250-&	2	4	3	9
4499	1448 KOBINATA S, NAGAKURA S ELECTRONIC STRUCTURES OF PYRIDINE N-OXIDE AND 4-NITROSOPYRIDINE N-OXIDE THEORETICA CHIMICA ACTA. 1969; 14 (5): 415-&	2	17	6	18
4500	1449 JOHNSTON.RA, WARD SD ULTRAVIOLET SPECTRA OF, AND SCF MO CALCULATIONS ON 6A-THIATHIOPHTHENS THEORETICA CHIMICA ACTA. 1969; 14 (5): 420-&	1	28	4	30

Date / Author / Journal

4401

PARISER-PARR-POPLE-RECHNUNGEN AN MOLEKULEN MIT AMINOGRUPPEN .I. DIE PARAMETER DER AMINOGRUPPEN

THEORETICA CHIMICA ACTA. 1966; 5 (3): 236-&

4402

909 KLESSING.M

PARISER-PARR-POPLE-RECHNUNGEN AN MOKEKULEN MIT AMINOGRUPPEN .2. CYANINE MEROCYANINE UND QUADRUPOL-MEROCYANINE

THEORETICA CHIMICA ACTA. 1966; 5 (3): 251-&

4403

910 HINCHLIF.A, ALI MA

SCF CALCULATION OF SPIN DENSITY DISTRIBUTIONS IN SOME NITRILE RADICAL ANIONS

THEORETICA CHIMICA ACTA. 1966; 5 (3): 271-&

4404

911 EHRENSON S

COMPARISONS OF HUCKEL AND PARISER-PARR-POPLE-TYPE MO METHODS - CLOSED FORMS FOR SCF CHARGE DISTRIBUTIONS AND BOND ORDERS

THEORETICA CHIMICA ACTA. 1966; 5 (4): 346-&

4405

912 TYUTYULK.N, FRATEV F

ANHAND DER METHODE DER KONFIGURATIONENWECHSELWIRKUNG BERECHNETE DIPOLMOMENTE EINIGER NICHTALTERNIERENDER KOHLENWASSERSTOFFE IN ANGEREGTEM INGULETT- UND TRIPLETTZUSTAND

THEORETICA CHIMICA ACTA. 1966; 5 (4): 376-&

4406

913 LINDNER P, MANNE R, MARTENSS.O

SEMIEMPIRICAL CALCULATIONS INVOLVING PI- AND SIGMA-ELECTRONS ON SOME NITROGENCONTAINING HETEROCYCLES

THEORETICA CHIMICA ACTA. 1966; 5 (5): 406-&

4407

914 POLAK R, PALDUS J

AN AB INITIO MODEL CALCULATION OF PI AND SIGMA ELECTRONIC STRUCTURE OF ETHYLENE MOLECULE

THEORETICA CHIMICA ACTA. 1966; 5 (5): 422-&

4408

915 PERKAMPU.HH, KNOP JV

SCF-CI-BERECHNUNGEN AM STILBEN

THEORETICA CHIMICA ACTA. 1966; 6 (1): 45-&

4409

916 HARRIS FE, REIN R

INTEGRAL APPROXIMATIONS FOR MOLECULAR ORBITAL THEORY

THEORETICA CHIMICA ACTA. 1966; 6 (1): 73-&

4410

917 MANNE R

AN APPROXIMATE MO-LCAO-SCF METHOD INCLUDING OVERLAP

THEORETICA CHIMICA ACTA. 1966; 6 (4): 299-&

Date / Author / Journal

4411

ELECTRONIC STRUCTURE OF CHLORINE TRIFLUORIDE - AN APPROXIMATE MO-LCAO- SCF CALCULATION

THEORETICA CHIMICA ACTA. 1966; 6 (4): 312-&

4412

919 TANAKA M, NAGAKURA S

ELECTRONIC STRUCTURES AND SPECTRA OF ADENINE AND THYMINE

THEORETICA CHIMICA ACTA. 1966; 6 (4): 320-&

4413

920 HANSEN AE

ON EVALUATION OF ELECTRIC AND MAGNETIC DIPOLE TRANSITION MOMENTS IN ZDO APPROXIMATION

THEORETICA CHIMICA ACTA. 1966; 6 (4): 341-&

4414

1081 SICHEL JM, WHITEHEA.MA

ATOMIC PARAMETERS FOR SEMI-EMPIRICAL SCF-LCAO-MO CALCULATIONS

THEORETICA CHIMICA ACTA. 1967; 7 (1): 32-&

227

4415

1082 LIM TK, WHITEHEA.MA

NON SELF-CONSISTENT FIELD THEORY - A NEW APPROACH IN QUANTUM MECHANICAL CALCULATIONS

THEORETICA CHIMICA ACTA. 1967; 7 (1): 48-&

4416

1083 DENIS A, PULLMAN A

THEORETICAL STUDY OF ELECTRONIC PROPERTIES OF BIOLOGICAL PURINES AND PYRIMIDINES .3. REPRESENTATION OF METHYL GROUP AND STRUCTURE OF THYMINE

THEORETICA CHIMICA ACTA. 1967; 7 (2): 110-&

4417

1084 KAYA K, NAGAKURA S

VACUUM ULTRAVIOLET ABSORPTION SPECTRA OF SIMPLE AMIDES

THEORETICA CHIMICA ACTA. 1967; 7 (2): 117-&

4418

1085 LINDNER P, MARTENSS.O

PI-ELECTRON ENERGIES OF CIS- AND TRANS-STILBENE

THEORETICA CHIMICA ACTA. 1967; 7 (2): 150-&

4419

1086 LEIBOVIC.C, DESCHAMP.J

ETUDE THEORIQUE DES SPECTRES ELECTRONIQUES DE DERIVES A STRUCTURE P QUINONIQUE PAR LA METHODE DE PARISER-PARR-POPLE .2. OXIMES DE LA P BENZOQUINONE

THEORETICA CHIMICA ACTA. 1967; 7 (3): 157-&

4420

1087 GOLEBIEW.A, PARCZEWS.A

STERIC EFFECT IN BIPHENYL ACCORDING TO SC LCAO MO AND LIMITED CI METHODS

THEORETICA CHIMICA ACTA. 1967; 7 (3): 171-&

Date / Author / Journal

4421

ELECTRON INTERACTION IN MOLECULES .2. PI-ELECTRONIC STRUCTURE OF SOME AROMATIC HYDROCARBONS AND THEIR DERIVATIVES

THEORETICA CHIMICA ACTA. 1967; 7 (3): 207-&

109

4422

1089 BROWN RD, COLLER BAW

THEORETICAL CALCULATION OF ELECTRIC DIPOLE MOMENTS FOR CONJUGATED SYSTEMS

THEORETICA CHIMICA ACTA. 1967; 7 (4): 259-&

101

106

4423

1090 RAZAFIND.E, BESNAINO.S

INFLUENCE DE LA LIAISON HYDROGENE INTRAMOLECULAIRE SUR LES BANDES PI- ]PI DE CERTAINES MOLECULES ORGANIQUES . THEORIE ELECTRONIQUE

THEORETICA CHIMICA ACTA. 1967; 7 (4): 321-&

4424

1091 DAY P

A THEORY OF OPTICAL PROPERTIES OF VITAMIN B12 AND ITS DERIVATIVES

THEORETICA CHIMICA ACTA. 1967; 7 (4): 328-&

4425

1092 LINDNER P, MARTENSS.O

A SEMIEMPIRICAL APPROACH TO HYPERCONJUGATION AND APPLICATION TO TOLUENE XYLENES AND MESITYLENE

THEORETICA CHIMICA ACTA. 1967; 7 (4): 352-&

4426

1093 CIGNITTI M, PAOLONI L

ELECTRONIC STRUCTURE OF GROUPS OF ISOMERIC HETERO-AROMATIC SYSTEMS .I. DERIVATIVES OF 1,2,4-OXADIAZOLE

THEORETICA CHIMICA ACTA. 1967; 7 (5): 383-&

4427

1094 BLOOR JE, GILSON BR, BREARLEY N

A COMPARATIVE STUDY OF SCFMO CALCULATIONS ON ALTERNANT AND NONALTERNANT HYDROCARBONS

THEORETICA CHIMICA ACTA. 1967; 8 (1): 35-&

4428

1095 AMOS AT

SELF-CONSISTENT PERTURBATION THEORY FOR CONJUGATED MOLECULES .V. CALCULATION OF BOND POLARIZABILITIES BOND LENGHTS AND FORCE CONSTANTS

THEORETICA CHIMICA ACTA. 1967; 8 (2): 91-&

4429

1096 ALLINGER NL, TAI JC, STUART TW

ELECTRONIC SPECTRA OF UNSATURATED HYDROCARBONS A VESCF-CI TREATMENT

THEORETICA CHIMICA ACTA. 1967; 8 (2): 101-&

4430

1097 ARMSTRON.DR, PERKINS PG

SELF-CONSISTENT MOLECULAR ORBITAL CALCULATIONS ON ORGANOBORON COMPOUNDS .V. TRIARYLBORANES

THEORETICA CHIMICA ACTA. 1967; 8 (2): 138-&

Date / Author / Journal

LCS

GCS

LCR

4431

1098 FLURRY RL, STOUT EW, BELL JJ

INCLUSION OF NON-NEAREST NEIGHBOR BETA TERMS IN PARISER-PARR-POPLE TYPE SCMO CALCULATIONS .2. HETEROATOMIC SYSTEMS

THEORETICA CHIMICA ACTA. 1967; 8 (3): 203-&

4432

1099 TYUTYULK.N, FRATEV F, PETKOV DTHEORETICA CHIMICA ACTA. 1967; 8 (3): 236-&

4433

1100 HOSOYA H, NAGAKURA S

ELECTRONIC STRUCTURE AND SPECTRUM OF TROPONE

THEORETICA CHIMICA ACTA. 1967; 8 (4): 319-&

4434

1101 PUKANIC GW, FORSHEY DR, WEGENER JD, GREENSHI.JB

LCAO-MO-SCF-CI SEMI-EMPIRICAL PI-ELECTRON CALCULATIONS ON HETEROAROMATIC SYSTEMS .I. HYDROXY AROMATIC COMPOUNDS

THEORETICA CHIMICA ACTA. 1967; 9 (1): 38-&

4435

1102 WETTERMA.G, SCHOR R

ELECTRONIC STRUCTURE AND SPECTRUM OF GEOMETRIC ISOMERS OF 1,4-DIPHENYL- 1,3-BUTADIENE

THEORETICA CHIMICA ACTA. 1967; 9 (1): 57-&

4436

1103 STAEMMLE.V, KUTZELNI.W

HORIZONTAL CORRELATION IN PI-ELECTRON SYSTEMS AND THEIR DESCRIPTION BY ELECTRON PAIR FUNCTIONS

THEORETICA CHIMICA ACTA. 1967; 9 (1): 67-&

4437

1104 FIGEYS HP, DEDIEU P

AN IMPROVED SEMI-EMPIRICAL HUCKEL-METHOD FOR STUDY OF PHYSICO-CHEMICAL PROPERTIES OF AROMATIC SYSTEMS

THEORETICA CHIMICA ACTA. 1967; 9 (1): 82-&

4438

1105 FLURRY RL

SCMO PI-ELECTRON CALCULATIONS OF SPECTRA AND IONIZATION POTENTIALS OF SOME METHYL SUBSTITUTED BENZENES

THEORETICA CHIMICA ACTA. 1967; 9 (1): 96-&

4439

1106 SILVER BL

SPIN DENSITIES IN SOME SIMPLE PARASEMIQUINONES

THEORETICA CHIMICA ACTA. 1967; 9 (2): 192-&

4440

1242 BANDO Y, NAGAKURA S

ELECTRONIC STRUCTURE AND SPECTRUM OF SILVER(I)PERCHLORATE-PYRIDINE COMPLEX

THEORETICA CHIMICA ACTA. 1968; 9 (3): 210-&

Date / Author / Journal

LCS

GCS

LCR

4441

1243 GALASSO V, DEALTI G, BIGOTTO A

ELECTRONIC STRUCTURE AND ABSORPTION SPECTRA OF INDOLIZINES

THEORETICA CHIMICA ACTA. 1968; 9 (3): 222-&

4442

1244 WAGNIERE G

SEMIEMPIRICAL CALCULATIONS ON TRIPLET AND DOUBLET STATES - A COMPARISON BETWEEN RESTRICTED OPEN-SHELL SCF AND LIMITED CONFIGURATION INTERACTION METHOD

THEORETICA CHIMICA ACTA. 1968; 9 (4): 312-&

4443

1245 KLESSING.M

NON-NEIGHBORING MATRIX ELEMENTS IN HMO METHOD

THEORETICA CHIMICA ACTA. 1968; 9 (4): 339-&

4444

1246 JUNGEN M, LABHART H

INTERACTION OF PI AND SIGMA ELECTRONS IN THEORY OF UNSATURATED MOLECULES .I. SEMIEMPIRICAL LCAO-SCF CALCULATIONS FOR PI AND SIGMA ORBITALS OF ACROLEIN AND FURAN

THEORETICA CHIMICA ACTA. 1968; 9 (5): 345-+

4445

1247 ARMSTRON.DR, PERKINS PG

CALCULATION OF SIGMA-]PI' AND PI-]SIGMA' TRANSITIONS IN VINYLBORANES

THEORETICA CHIMICA ACTA. 1968; 9 (5): 412-+

4446

1248 FLURRY RL, BELL JJ

SOME COMMENTS ON PARAMETER CHOICES FOR SCMO CALCULATIONS ON 5 MEMBERED HETEROATOMIC PI-ELECTRON SYSTEMS

THEORETICA CHIMICA ACTA. 1968; 10 (1): 1-&

4447

1249 KRUGLYAK YA, DYADYUSH.GG

TORSION BARRIERS OF END-GROUPS IN CUMULENES .I. GENERAL CONSIDERATION

THEORETICA CHIMICA ACTA. 1968; 10 (1): 23-&

4448

1250 KWIATKOW.JS

ELECTRONIC STRUCTURE AND SPECTRA OF ORGANIC MOLECULES .4. PARISER-PARR- POPLE TYPE CALCULATIONS FOR PURINE AND SOME OF ITS 6-SUBSTITUTED DERIVATIVES

THEORETICA CHIMICA ACTA. 1968; 10 (1): 47-&

4449

1251 HEDGES RM, PHILLIPS LF

ELECTRONIC STRUCTURE OF ANGULAR POLYPHENES

THEORETICA CHIMICA ACTA. 1968; 10 (1): 73-&

4450

1252 CLARK DT

A SELF CONSISTENT FIELD MOLECULAR ORBITAL TREATMENT INCLUDING EXCITED STATES OF CYCLOPROPANE ETHYLENE OXIDE AND ETHYLENIMINE

THEORETICA CHIMICA ACTA. 1968; 10 (2): 111-+

Date / Author / Journal

LCS

GCS

LCR

4451

1253 MOHAMMAD M, SUNDHEIM BR

14N HYPERFINE STRUCTURE OF TRIPHENYLAMINIUM RADICAL IONS

THEORETICA CHIMICA ACTA. 1968; 10 (3): 222-&

4452

1254 PUKANIC GW, FORSHEY DR, WEGENER JD, GREENSHI.JB

LCAO-MO-SCF-CI SEMI-EMPIRICAL PI-ELECTRON CALCULATIONS ON HETEROAROMATIC SYSTEMS .3. AAZINES

THEORETICA CHIMICA ACTA. 1968; 10 (3): 240-&

4453

1255 STUART TW, ALLINGER NL

FURTHER STUDIES ON CONFIGURATION INTERACTION IN MOLECULAR ORBITAL THEORY OF PI-SYSTEMS

THEORETICA CHIMICA ACTA. 1968; 10 (3): 247-&

4454

1256 LEIBOVIC.C

ACROLEIN OXIME

THEORETICA CHIMICA ACTA. 1968; 10 (4): 311-&

4455

1257 FORD B

SEMI-EMPIRICAL LCAO-SCF MOLECULAR ORBITAL CALCULATIONS FOR SELECTED HOMO-SUBSTITUTED BENZENES

THEORETICA CHIMICA ACTA. 1968; 10 (4): 342-&

4456

1258 CLARK DT

PI-INDUCTIVE EFFECT OF AMMONIO (NH+/3) GROUP

THEORETICA CHIMICA ACTA. 1968; 10 (4): 352-&

4457

1259 HINCHLIF.A, TRINAJST.N

CALCULATION OF PROTON COUPLING CONSTANTS FOR DIBENZOTHIOPHENE RADICAL ANION

THEORETICA CHIMICA ACTA. 1968; 10 (5): 458-&

4458

1260 LAPAGLIA SR

FEMO TREATMENT OF ALL TRANS-POLYENES WITH PARAMETRIC ENERGY DEPENDENCES

THEORETICA CHIMICA ACTA. 1968; 11 (2): 89-&

4459

1261 KUNII TL, KURODA H

IONIZATION POTENTIALS AND ELECTRON AFFINITIES OF CARBO- AND HETEROCYCLIC PI-CONJUGATED MOLECULES

THEORETICA CHIMICA ACTA. 1968; 11 (2): 97-&

4460

1262 EVLETH EM

ELECTRONIC STRUCTURES OF PYRIDINE-N-OXIDE AND RELATED COMPOUNDS

THEORETICA CHIMICA ACTA. 1968; 11 (2): 145-&

Date / Author / Journal

LCS

GCS

LCR

4461

1263 RAY NK, NARASIMH.PT

UNRESTRICTED HARTREE-FOCK CALCULATIONS OF SPIN DENSITY DISTRIBUTIONS IN RADICAL ANIONS OF SOME HETEROCYCLES DERIVED FROM THIOPHENE FURAN AND PYRROLE

THEORETICA CHIMICA ACTA. 1968; 11 (2): 156-&

4462

1264 SICHEL JM, WHITEHEA.MA

SEMI-EMPIRICAL ALL VALENCE ELECTRONS SCF-MO-CNDO THEORY .2. INTERATOMIC PARAMETERS AND BONDING ENERGIES

THEORETICA CHIMICA ACTA. 1968; 11 (3): 220-&

205

4463

1265 SICHEL JM, WHITEHEA.MA

SEMI-EMPIRICAL ALL VALENCE ELECTRONS SCF-MO-CNDO THEORY .3. ORBITAL ENERGIES AND IONIZATION POTENTIALS

THEORETICA CHIMICA ACTA. 1968; 11 (3): 239-&

4464

1266 MORITA H, NAGAKURA S

ELECTRONIC ABSORPTION SPECTRA AND ELECTRONIC STRUCTURES OF CYTOSINE ISOCYTOSINE AND THEIR ANIONS AND CATIONS

THEORETICA CHIMICA ACTA. 1968; 11 (4): 279-&

4465

1267 TINLAND B

AN SCF-CI STUDY OF STERIC EFFECTS IN HYDROCARBON MOLECULES CONTAINING PHENYL OR NAPHTYL GROUPS IN RELATION WITH THEIR ELECTRONIC SPECTRA

THEORETICA CHIMICA ACTA. 1968; 11 (5): 385-&

4466

1268 GALASSO V, DEALTI G

ELECTRONIC STRUCTURE AND SPECTRA OF FUSED N/M RING SYSTEMS WITH ONE OR 2 BRIDGEHEAD NITROGEN ATOMS .2. AZAPENTALENES

THEORETICA CHIMICA ACTA. 1968; 11 (5): 411-&

4467

1269 GALASSO V

ELECTRONIC STRUCTURE AND SPECTRA OF FUSED N/M RING SYSTEMS WITH ONE OR 2 BRIDGEHEAD NITROGEN ATOMS .3. QUINOLIZINIUM CATION AND AZA-ANALOGS

THEORETICA CHIMICA ACTA. 1968; 11 (5): 417-&

4468

1270 TINLAND B

A CNDO STUDY OF STERIC EFFECTS IN BIPHENYL

THEORETICA CHIMICA ACTA. 1968; 11 (5): 452-&

4469

1271 KRUGLYAK YA, DYADYUSH.GG

TORSION BARRIERS OF END-GROUPS IN CUMULENES .2. RESULTS OF CALCULATIONS AND DISCUSSION

THEORETICA CHIMICA ACTA. 1968; 12 (1): 18-&

4470

1272 LEIBOVIC.C

THEORETICAL STUDY OF SUBSTITUTED BENZENES .I. MONOALKOXYBENZENES

THEORETICA CHIMICA ACTA. 1968; 12 (1): 34-&

Date / Author / Journal

LCS

GCS

LCR

4471

1273 DENIS A, MALRIEU JP

INFLUENCE OF SIGMA SYSTEMS ON PIPI' TRANSITION ENERGIES - A SIMPLE APPLICATION TO SERIES OF LINEAR POLYENES

THEORETICA CHIMICA ACTA. 1968; 12 (1): 66-&

4472

1274 TINLAND B

ELECTRONIC STRUCTURE OF DIOXAZINES

THEORETICA CHIMICA ACTA. 1968; 12 (1): 85-&

4473

1275 BROWN RD, BURDEN FR

OPTIMUM PARAMETRIZATION OF POPLE-SANTRY-SEGAL METHOD OF TREATING ALL VALENCE ELECTRONS

THEORETICA CHIMICA ACTA. 1968; 12 (2): 95-+

4474

1276 LEVY B, KOCHANSK.E

CALCULATION OF DIPOLAR SPIN-SPIN INTERACTION BY DOUBLE PERTURBATION THEORY IN MOLECULES

THEORETICA CHIMICA ACTA. 1968; 12 (2): 138-&

4475

1277 ADAMS OW, MILLER RL

AN IMPROVED LCAO-MO-SCF PI-ELECTRON METHOD .2. HYDROCARBONS AND NITROGEN AND OXYGEN HETEROCYCLES

THEORETICA CHIMICA ACTA. 1968; 12 (2): 151-&

4476

1278 BUENKER RJ, PEYERIMH.SD

CI METHOD FOR STUDY OF GENERAL MOLECULAR POTENTIALS

THEORETICA CHIMICA ACTA. 1968; 12 (3): 183-&

4477

1279 HENSEN K, SARHOLZ W

INVESTIGATIONS ON UV-ABSORPTION SPECTRA OF SOME PYRIDINE ADDITION COMPOUNDS

THEORETICA CHIMICA ACTA. 1968; 12 (3): 206-&

4478

1280 CIAMPI A, PAOLONI L

A SEMIEMPIRICAL METHOD BASED ON GEMINAL FUNCTIONS .I. EXTENSION OF HUCKEL METHOD TO PI- AND N-ELECTRONS

THEORETICA CHIMICA ACTA. 1968; 12 (3): 229-&

4479

1281 FABIAN J, MEHLHORN A, ZAHRADNI.R

PPP-CALCULATIONS AND COMPARISON OF ELECTRONIC SPECTRA OF ISO-PI- ELECTRONIC OXYGEN NITROGEN SULFUR AND SELENIUM HETEROCYCLES

THEORETICA CHIMICA ACTA. 1968; 12 (3): 247-&

4480

1282 WARREN KD, YANDLE JR

SCF-PI-ELECTRON CALCULATIONS USING ORTHOGONALISED ATOMIC ORBITALS .I. AN ASSESSMENT OF A RECENT APPROACH

THEORETICA CHIMICA ACTA. 1968; 12 (4): 267-&

Date / Author / Journal

LCS

GCS

LCR

4481

1283 YAMAGUCH.H, NAKAJIMA T, KUNII TL

ELECTRONIC STRUCTURES AND SPECTRA OF NONBENZENOID AROMATIC HYDROCARBONS CONTAINING CYCLOPROPENYL RING

THEORETICA CHIMICA ACTA. 1968; 12 (5): 349-&

4482

1284 EDWARDS TG, GRINTER R

MOLECULES-IN-MOLECULES CALCULATIONS ON SOME CONJUGATED CARBONYL COMPOUNDS

THEORETICA CHIMICA ACTA. 1968; 12 (5): 387-&

4483

1285 PERKINS PG

CALCULATION OF UV SPECTRUM OF P-DISILYLBENZENE

THEORETICA CHIMICA ACTA. 1968; 12 (5): 427-&

4484

1433 MALRIEU JP, CLAVERIE P, DINER S

LOCALIZED BOND ORBITALS AND CORRELATION PROBLEM .2. APPLICATION TO PI- ELECTRON SYSTEMS

THEORETICA CHIMICA ACTA. 1969; 13 (1): 18-&

189

4485

1434 BAILEY ML

SEMI-EMPIRICAL PI-ELECTRON CALCULATIONS

THEORETICA CHIMICA ACTA. 1969; 13 (1): 56-&

4486

1435 MISURKIN IA, OVCHINNI.AA

ELECTRONIC STRUCTURE OF HIGH PI-ELECTRON SYSTEMS (GRAPHITE POLYACENE CUMULENE)

THEORETICA CHIMICA ACTA. 1969; 13 (2): 115-&

4487

1436 TINLAND B

A CNDO CI STUDY OF ELECTRONIC STRUCTURE AND SPECTRUM OF NITROBENEZENE

THEORETICA CHIMICA ACTA. 1969; 13 (2): 171-&

4488

1437 FAVINI G, GAMBA A, SIMONETT.M

INTERPRETATION OF ELECTRONIC SPECTRA OF AROMATIC HYDROCARBONS BY MOLECULES IN MOLECULES METHOD

THEORETICA CHIMICA ACTA. 1969; 13 (3): 175-&

4489

1438 KARLSSON G, MARTENSS.O

CHARGE INFLUENCE IN SEM-EMPIRICAL CALCULATIONS OF HETEROATOMIC IONIC AND NEUTRAL MOLECULES

THEORETICA CHIMICA ACTA. 1969; 13 (3): 195-+

4490

1439 SAKAMOTO K, IHAYA YJ

ROLE OF DOUBLY EXCITED CONFIGURATIONS IN PI-ELECTRONIC STRUCTURE OF CROCONATE ANION

THEORETICA CHIMICA ACTA. 1969; 13 (3): 220-&

Date / Author / Journal

LCS

GCS

LCR

4491

1440 CHALVET O, LEIBOVIC.C

THEORETICAL STUDY OF SUBSTITUTED BENZENES .3. FLUOROBENZENES

THEORETICA CHIMICA ACTA. 1969; 13 (4): 297-&

4492

1441 KHETRAPA.CL, RAI DK

PARISER-PARR-POPLE TYPE SCF-MO-CI CALCULATIONS ON PENTAFLUOROBENZENES

THEORETICA CHIMICA ACTA. 1969; 13 (4): 308-&

4493

1442 BURNHAM DR

SPIN CONTAMINATION IN PPP UNRESTRICTED HARTREE-FOCK WAVE FUNCTIONS

THEORETICA CHIMICA ACTA. 1969; 13 (5): 428-&

4494

1443 TYUTYULK.N, HIEBAUM G

STUDY OF REACTIVITY OF PI-ELECTRON SYSTEMS IN EXCITED SINGLET AND TRIPLET STATES .3. ELECTRONIC STRUCTURE OF AMINODERIVATIVES OF N- CONTAINING HETEROCYCLES IN EXCITED SINGLET AND TRIPLET STATES

THEORETICA CHIMICA ACTA. 1969; 14 (1): 39-&

4495

1444 CHALVET O, LEIBOVIC.C

THEORETICAL STUDY OF SUBSTITUTED BENZENES .4. CHLOROBENZENES

THEORETICA CHIMICA ACTA. 1969; 14 (1): 65-&

4496

1445 JUG K

ON DEVELOPMENT OF SEMIEMPIRICAL METHODS IN MO FORMALISM

THEORETICA CHIMICA ACTA. 1969; 14 (2): 91-&

236

4497

1446 EHRENSON S

ON DAMPING IN SELF-CONSISTENCY CYCLING PROCEDURES

THEORETICA CHIMICA ACTA. 1969; 14 (2): 136-&

4498

1447 HAUPT A, HOYTINK GJ

CONFIGURATION INTERACTION CALCULATIONS ON DINEGATIVE ION OF CORONENE

THEORETICA CHIMICA ACTA. 1969; 14 (3): 250-&

4499

1448 KOBINATA S, NAGAKURA S

ELECTRONIC STRUCTURES OF PYRIDINE N-OXIDE AND 4-NITROSOPYRIDINE N-OXIDE

THEORETICA CHIMICA ACTA. 1969; 14 (5): 415-&

4500

1449 JOHNSTON.RA, WARD SD

ULTRAVIOLET SPECTRA OF, AND SCF MO CALCULATIONS ON 6A-THIATHIOPHTHENS

THEORETICA CHIMICA ACTA. 1969; 14 (5): 420-&

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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