Articles citing this paper
The 'Variable Electronegativity ' Method. II. Pyrrole
RD Brown and ML Heffernan
12(3) pp.319 - 329
81 articles found in Crossref database.
Theory of Formamide and Its Related Compounds by INDO-CI Method
Sakuranaga Masanori,
Nakachi Kei, Suzuki Hideo
Journal of the Physical Society of Japan. 1979 46(3). p.944
Conformational transformations of bis(trifluorovinyl) derivatives of napthalene and phenanthrene
Fiedorow Piotr,
Koroniak Henryk,
Dolbier William R., Palmer Keith
Journal of Molecular Structure. 1992 273 p.305
Advances in Heterocyclic Chemistry Volume 5 (1965)
Theory of the Optical Property of Retinal in Visual Pigments
Suzuki Hideo,
Komatsu Toshiro, Kato Takeshi
Journal of the Physical Society of Japan. 1973 34(1). p.156
Electronic Spectra and Structure of p-Benzoquinone
Mishra P. C., Pandey A. K.
Spectroscopy Letters. 1975 8(12). p.953
Carbonyl derivatives of heterocyclic compounds—III
Khan M.K.A.,
Morgan K.J., Morrey D.P.
Tetrahedron. 1966 22(7). p.2095
Encyclopedia of Computational Chemistry (1998)
Étude Théorique des Systèmes Hétéroatomiques Conjugués. I. L'évaluation Semi‐Empirique des Paramètres
Aussems C.,
Jaspers S.,
Leroy G., Remoortere F. Van
Bulletin des Sociétés Chimiques Belges. 1969 78(7-8). p.407
Molecular mechanics (MM3) calculations on conjugated hydrocarbons
Allinger Norman L.,
Li Fanbing,
Yan Liqun, Tai Julia C.
Journal of Computational Chemistry. 1990 11(7). p.868
A theoretical study of the chemistry of isoquinoline
Brown R.D., Harcourt R.D.
Tetrahedron. 1960 8(1-2). p.23
Advances in Heterocyclic Chemistry Volume 11 (1970)
Theoretical investigation of the π ‐electronic structure and spectra of protonated aromatic carbonyl compounds
Kiss A. I., Joó F.
International Journal of Quantum Chemistry. 1975 9(2). p.261
1,2,5-, 1,3,4- and 1,2,4-Oxadiazoles
Brown R. D.,
Coller B. A. W., Kent J. E.
Theoretica Chimica Acta. 1968 10(5). p.435
The electronic structure of conjugated systems with large effective charges
Bochvar D. A., Bagatur'yants A. A.
Theoretical and Experimental Chemistry. 1972 5(1). p.12
Some comments on the parameter choices for S.C.M.O. calculations on five membered heteroatomic ?-electron systems
Flurry R. L., Bell J. J.
Theoretica Chimica Acta. 1968 10(1). p.1
SEMIEMPIRICAL SCF–LCAO–MO TREATMENT OF THIOPHENE, FURAN, AND PYRROLE
Solony N.,
Birss F. W., Greenshields John B.
Canadian Journal of Chemistry. 1965 43(5). p.1569
Theoretical studies in the chemistry and physics of heterocycles
Chiorboli Paolo,
Rastelli Augusto, Momicchioli Fabio
Theoretica Chimica Acta. 1966 5(1). p.1
Charge influence in semi-empirical calculations of heteroatomic ionic and neutral molecules
Karlsson G�ran, M�rtensson Olle
Theoretica Chimica Acta. 1969 13(3). p.195
Electronic Structure of Molecules (1966)
On the Optical Properties of all-trans Carotenoids
Suzuki Hideo,
Takizawa Naosada, Komatsu Toshiro
Journal of the Physical Society of Japan. 1971 31(3). p.895
A Study on the Electronic Spectra of 1-(p-Substituted phenyl)pyrroles
Matsuo Taku,
Shosenji Hideto, Miyamoto Reiji
Bulletin of the Chemical Society of Japan. 1968 41(12). p.2849
Theoretical Organic Chemistry (1998)
A
b i
n
i
t
i
o SCF CI calculations on the ground and π–π* excited states of the pyrrole molecule and its positive ion
Tanaka Kiyoshi,
Nomura Tsutomu,
Noro Takeshi,
Tatewaki Hiroshi,
Takada Toshikazu,
Kashiwagi Hiroshi,
Sasaki Fukashi, Ohno Kimio
The Journal of Chemical Physics. 1977 67(12). p.5738
Electronic transitions in mono-olefinic hydrocarbons
Watson F. H.,
Armstrong A. T., McGlynn S. P.
Theoretica Chimica Acta. 1970 16(2). p.75
SCF-?-electron calculations using orthogonalised atomic orbitals
Warren Keith D., Yandle John R.
Theoretica Chimica Acta. 1968 12(4). p.267
SCF-?-electron calculations using orthogonalised atomic orbitals
Warren Keith D., Yandle John R.
Theoretica Chimica Acta. 1968 12(4). p.279
The variable core approach in the SCF MO calculation of heteroatomic systems
Nishimoto Kichisuke
Theoretica Chimica Acta. 1968 10(1). p.65
Molecular mechanics (MM4) calculations on conjugated hydrocarbons
Nevins Neysa,
Lii Jenn-Huei, Allinger Norman L.
Journal of Computational Chemistry. 1996 17(5-6). p.695
The Electronic Spectra and Structures of s-Triaminobenzenium and Some Related Ions
Mataga Noboru
Bulletin of the Chemical Society of Japan. 1963 36(9). p.1109
Molecular orbital study of excited state geometry of substituted benzenes
Mishra P.C., Rai D.K.
Molecular Physics. 1972 23(4). p.815
Electron impact investigation of electronic excitations in furan, thiophene, and pyrrole
Flicker Wayne M.,
Mosher Oren A., Kuppermann Aron
The Journal of Chemical Physics. 1976 64(4). p.1315
Electronic Structure of Polymers and Molecular Crystals (1975)
Towards an adequate molecular orbital interpretation of the ultraviolet spectrum of the permanganate ion
Brown R.D.,
James B.H.,
O'Dwyer M.F., Roby K.R.
Chemical Physics Letters. 1967 1(10). p.459
Hartree–Fock MO–LCAO equations with charge‐dependent atomic integrals
Karlsson Göran
International Journal of Quantum Chemistry. 1970 4(3). p.289
Spectra of porphyrins
Weiss Charles,
Kobayashi Hiroshi, Gouterman Martin
Journal of Molecular Spectroscopy. 1965 16(2). p.415
Atom-atom potential analysis of the complexing characteristics of cyclodextrins (host) with benzene and p-dihalobenzenes (guest)
Pang L., Whitehead M. A.
Supramolecular Chemistry. 1992 1(1). p.81
Molecular orbital calculations on transition element compounds
Brown R. D.,
James B. H., O'Dwyer M. F.
Theoretica Chimica Acta. 1970 17(4). p.264
High level theoretical study of the structure and rotational barriers of trans-stilbene
Kwasniewski S. P.,
Claes L.,
François J.-P., Deleuze M. S.
The Journal of Chemical Physics. 2003 118(17). p.7823
MOLCAO‐Berechnungen an Heteronitrilen YC6H4XCX mit X = O, N, S und Se; PPP‐Berechnungen der Elektronenspektren
Ritschl Friedrich
Zeitschrift für Chemie. 1978 18(11). p.411
Ultraviolet Absorption Spectrum of Pyrrole Vapor Including the Observation of Low-Energy Transitions in the Far Ultraviolet
Mullen P. A., Orloff M. K.
The Journal of Chemical Physics. 1969 51(5). p.2276
The exploration of response surfaces for the determination of Hückel molecular orbital parameters
Smith Wendell F.
Tetrahedron. 1964 20(3). p.671
Studies of the molecular-orbital theory of chemical reactivity—I
Brown R.D.,
Coller B.A.W., Heffernan M.L.
Tetrahedron. 1962 18(3). p.343
Electronic structures of carbazole and indole and the solvent effects on the electronic spectra
Mataga Noboru,
Torihashi Yoshikazu, Ezumi Kiyoshi
Theoretica Chimica Acta. 1964 2(2). p.158
Principle of electronegativity equalization and analysis of intramolecular interaction energies
Zverev V. V.
Journal of Structural Chemistry. 1972 13(1). p.158
Minimization of the total energy in the PPP method with allowance for the dependence of the parameters on the bond order matrix elements
Bagatur'yants A. A.
Theoretical and Experimental Chemistry. 1973 7(1). p.73
Molecular Modelling and Drug Design (1994)
Aromatic cyanines
Ezhova L. A.,
�fros L. S., Zakhs �. R.
Chemistry of Heterocyclic Compounds. 1972 8(2). p.183
Electronic structures, physical properties, and reactivities of five-membered aromatic heterocycles (review)
Abronin I. A., Zhidomirov G. M.
Chemistry of Heterocyclic Compounds. 1977 13(1). p.1
The three-spin high-resolution nuclear magnetic resonance spectra of peri dialkylsubstituted naphthalenes
Bartle K.D., Jones D.W.
Journal of Molecular Spectroscopy. 1969 32(3). p.353
Solvent Effects on the Absorption and Fluorescence Spectra of Naphthylamines and Isomeric Aminobenzoic Acids
Mataga Noboru
Bulletin of the Chemical Society of Japan. 1963 36(6). p.654
A molecular mechanics (MM2) study of Furan, Thiophene, and related compounds
Tai Julia C.,
Lii Jenn‐Huei, Allinger Norman L.
Journal of Computational Chemistry. 1989 10(5). p.635
Photoinduced Electron Transfer in Pentaammineruthenium(II) Complexes of 1-(4-Cyanophenyl)imidazole
Hatzidimitriou Antonios,
Gourdon André,
Devillers Jean,
Launay Jean-Pierre,
Mena Elena, Amouyal Edmond
Inorganic Chemistry. 1996 35(8). p.2212
SCF-?-electron calculations using orthogonalised atomic orbitals
Roberts Gareth, Warren Keith D.
Theoretica Chimica Acta. 1971 22(2). p.184
Nitropyrroles—III
Morgan K.J., Morrey D.P.
Tetrahedron. 1971 27(1). p.245
A self consistent field molecular orbital treatment of pyrrole and pyrrole anion including all valence electrons
Clark D.T.
Tetrahedron. 1968 24(13). p.4689
Configuration Interaction in Molecular-Orbital Theory
Allinger Norman L., Stuart Thomas W.
The Journal of Chemical Physics. 1967 47(11). p.4611
Carbonyl derivatives of heterocyclic compounds—II
Khan M.K.A., Morgan K.J.
Tetrahedron. 1965 21(9). p.2197
The Electronic structure of Carbazole in the Fluorescent State
Mataga Noboru, Torihashi Yoshikazu
Bulletin of the Chemical Society of Japan. 1963 36(3). p.356
Further studies on configuration interaction in the molecular orbital theory of ?-systems
Stuart Thomas W., Allinger Norman L.
Theoretica Chimica Acta. 1968 10(3). p.247
CNDO-CI study of electronic structure and molecular geometry in ground and excited states
Yadav J.S.,
Mishra P.C., Rai D.K.
Molecular Physics. 1973 26(1). p.193
Resurrection of Neutral Tris-homoaromaticity
Stahl Frank,
Schleyer Paul von Ragué,
Jiao Haijun,
Schaefer Henry F.,
Chen Kuo-Hsiang, Allinger Norman L.
The Journal of Organic Chemistry. 2002 67(19). p.6599
Molecular Structure (2010)
Organic quantum chemistry—XXV
Chow L.W., Allinger N.L.
Tetrahedron. 1970 26(15). p.3717
Ions of odd alternant systems
Colpa J.P.,
MacLean C., Mackor E.L.
Tetrahedron. 1963 19 p.65
Self‐consistent pseudo‐eigenvalue equations in parametric charge‐dependent MO methods
Karlsson Göran
International Journal of Quantum Chemistry. 1970 4(2). p.127
Advances in Heterocyclic Chemistry Volume 15 (1973)
The molecular orbital theory of electrophilic substitution
Brown R.D.
Tetrahedron. 1963 19 p.337
Conformational properties and homolytic bond cleavage of organic peroxides. I. An empirical approach based upon molecular mechanics and ab initio calculations
Benassi Rois,
Folli Ugo,
Sbardellati Silvia, Taddei Ferdinando
Journal of Computational Chemistry. 1993 14(4). p.379
Spin densities in some simple parasemiquinones
Silver Brian L.
Theoretica Chimica Acta. 1967 9(2). p.192
Pariser-Parr-Pople-Rechnungen an Molek�len mit Aminogruppen
Klessinger Martin
Theoretica Chimica Acta. 1966 5(3). p.236
Sigma-polarization in 5-membered heterocyclic ring systems
Adam Waldemar, Grimison Alec
Theoretica Chimica Acta. 1967 7(4). p.342
Molecular‐orbital calculations on some mesoionic compounds
Sundaram K., Purcell William P.
International Journal of Quantum Chemistry. 1968 2(1). p.145
Recherches compl�mentaires sur la th�orie LCAO am�lior�e
Julg Andr�
Theoretica Chimica Acta. 1966 6(1). p.26
The Electronic Spectra and Electronic Structures of Amino-substituted Benzenes
Mataga Noboru
Bulletin of the Chemical Society of Japan. 1963 36(12). p.1607
Self consistent field molecular orbital calculation for pyrrole
Dahl J. P., Hansen Aage E.
Theoretica Chimica Acta. 1963 1(3). p.199
Transition energies and electronic structure of heterocyclic molecules containing a pyrrole ring, as calculated by the LCAO MO SCF CI method
Lagut-skaya L. I.
Theoretical and Experimental Chemistry. 1975 9(2). p.119
Thermochemical interpretation of ESCA chemical shifts using semi-empirical molecular orbital methods
Frost D.C.,
Herring F.G.,
McDowell C.A., Woolsey I.S.
Chemical Physics Letters. 1972 13(4). p.391
Theoretical calculation of electric dipole moments for conjugated systems
Brown R. D., Coller B. A. W.
Theoretica Chimica Acta. 1967 7(4). p.259
Chemistry of Heterocyclic Compounds (1977)
Variable electronegativity SCF‐MO calculations on the electronic structure and spectra of some substituted benzenes I. Monosubstitutions
Mishra P. C., Rai D. K.
International Journal of Quantum Chemistry. 1972 6(1). p.47
The Chemistry of Pyrroles (1977)