Nenad I. Trinajstić

Nenad I. Trinajstić's AcademicInfluence.com Rankings

Nenad I. Trinajstić

Chemistry

#1265

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#1947

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Quantum Chemistry

#18

World Rank

#18

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chemistry Degrees

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Chemistry

Nenad I. Trinajstić's Degrees

PhD Chemistry University of Zagreb

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Nenad I. Trinajstić's Published Works

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Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author

Published Works

Graph theory and molecular orbitals. Total φ-electron energy of alternant hydrocarbons (1972) (1735)
Chemical Graph Theory (1992) (1114)
Graph theory and molecular orbitals (1974) (990)
Graph theory and molecular orbitals. XII. Acyclic polyenes (1975) (682)
The Zagreb Indices 30 Years After (2003) (622)
Structure-radical scavenging activity relationships of flavonoids (2003) (476)
Information theory, distance matrix, and molecular branching (1977) (459)
Graph theory and molecular orbitals. 19. Nonparametric resonance energies of arbitrary conjugated systems (1977) (428)
On the Harary index for the characterization of chemical graphs (1993) (367)
SAR and QSAR of the antioxidant activity of flavonoids. (2007) (344)
On a novel connectivity index (2009) (332)
On general sum-connectivity index (2010) (327)
Topological Approach to the Chemistry of Conjugated Molecules (1977) (316)
Xueliang Li, Ivan Gutman: Mathematical Aspects of Randić-type Molecular Structure Descriptors (2006) (294)
A graph-theoretical approach to structure-property relationships (1992) (199)
The Vertex-Connectivity Index Revisited (1998) (196)
On reformulated Zagreb indices (2004) (189)
The Wiener Index: Development and Applications (1995) (143)
Valence-bond theory and chemical structure (1990) (137)
Graph theory and molecular orbitals (1972) (130)
Comparative study of molecular descriptors derived from the distance matrix (1992) (130)
Resistance-distance matrix: A computational algorithm and its application (2002) (128)
The distance matrix in chemistry (1992) (125)
Multivariate Regression Outperforms Several Robust Architectures of Neural Networks in QSAR Modeling (1999) (116)
Resistance distance in regular graphs (1999) (108)
On geometric-arithmetic index (2010) (102)
Ground states of conjugated molecules. XX. SCF MO treatment of compounds containing bivalent sulfur (1970) (97)
Comparison between the sum-connectivity index and product-connectivity index for benzenoid hydrocarbons (2009) (95)
A note on Kirchhoff index (2008) (94)
A New Efficient Approach for Variable Selection Based on Multiregression: Prediction of Gas Chromatographic Retention Times and Response Factors (1999) (93)
Comparison between first geometric–arithmetic index and atom-bond connectivity index (2010) (89)
On the three-dimensional wiener number (1989) (88)
Graph-Theoretical Matrices in Chemistry (2015) (88)
Molecular topological index: a relation with the Wiener index (1992) (85)
Topological characterization of cyclic structures (1980) (75)
The Laplacian matrix in chemistry (1994) (75)
Harary Index - Twelve Years Later* (2002) (74)
Minimum general sum-connectivity index of unicyclic graphs (2010) (73)
Ground states of conjugated molecules. XV. Bond localization and resonance energies in compounds containing nitrogen or oxygen (1969) (72)
The Structure-Property Models Can Be Improved Using the Orthogonalized Descriptors (1995) (72)
On the general sum-connectivity index of trees (2011) (70)
Ground states of conjugated molecules. XXII. Polarographic reduction potentials of hydrocarbons (1970) (69)
On resistance-distance and Kirchhoff index (2009) (69)
On Harary index (2008) (66)
Conjugation and aromaticity of corannulenes (1984) (64)
Graph theory and molecular orbitals. The loop rule (1973) (64)
Computer enumeration and generation of trees and rooted trees (1981) (61)
Mathematical and computational concepts in chemistry (1986) (61)
Computer enumeration and generation of benzenoid hydrocarbons and identification of bay regions (1983) (60)
Anthocyanin Degradation in the Presence of Furfural and 5-Hydroxymethylfurfural (1983) (60)
Minimum sum-connectivity indices of trees and unicyclic graphs of a given matching number (2010) (59)
An algorithm for construction of the molecular distance matrix (1987) (59)
On the largest eigenvalue of the distance matrix of a connected graph (2007) (58)
Development of 3-dimensional molecular descriptors (1990) (56)
Bounds on Harary index (2009) (53)
On the Anti-forcing Number of Benzenoids (2007) (53)
Graph theory and molecular orbitals. VII. The role of resonance structures (1974) (53)
Prediction of liquid viscosity for organic compounds by a quantitative structure–property relationship (2000) (53)
A novel definition of the Wiener index for trees (1993) (53)
A Novel/Old Modification of the First Zagreb Index (2017) (52)
Hierarchical orthogonalization of descriptors (1997) (51)
Molecular topological index (1990) (51)
Calculation of carbon-sulphur bond lengths (1968) (51)
Foundations of conjugated circuit models (1989) (51)
Application of topological indices to gas chromatographic data: caclculation of the retention indices of isomeric alkylbenzens (1979) (50)
Chemical graph theory: Modeling the thermodynamic properties of molecules (1980) (49)
Computational Chemical Graph Theory: Characterization, Enumeration and Generation of Chemical Structures by Computer Methods (1991) (49)
The Detour Matrix in Chemistry (1997) (48)
A quantum-mechanical study on the stereochemistry of the isomeric bipyrroles, bifurans, bithiophenes, thienylfurans and biselenophenes (1972) (48)
Sum-connectivity index of molecular trees (2010) (48)
Some properties of the reformulated Zagreb indices (2010) (47)
In search for graph invariants of chemical interes (1993) (46)
The number of Kekulé structures and the thermodynamic stability of conjugated systems (1975) (46)
On some solved and unsolved problems of chemical graph theory (1986) (45)
Cyclobutadiene and diphenylcyclobutadiene (1971) (45)
On the anti-Kekulé number and anti-forcing number of cata-condensed benzenoids (2008) (45)
Kekulé structures and topology (1972) (45)
Kekule index for valence bond structures of conjugated polycyclic systems (1973) (42)
Nonlinear Multivariate Regression Outperforms Several Concisely Designed Neural Networks on Three QSPR Data Sets (2000) (42)
Computer-aided enumeration and generation of the kekulé structures in conjugated hydrocarbons (1982) (40)
Distance-Related Indexes in the Quantitative Structure-Property Relationship Modeling (2001) (40)
On conjugated molecules with identical topological spectra (1975) (40)
Conformational preference functions for predicting helices in membrane proteins (1993) (40)
Relationship between the eccentric connectivity index and Zagreb indices (2011) (40)
On the Zagreb Indices as Complexity Indices (2000) (39)
Resonance energies of some compounds containing nitrogen or oxygen (1970) (39)
ON THE SUM-CONNECTIVITY INDEX (2011) (38)
On the enumeration and generation of polyhex hydrocarbons (1989) (37)
Computer generation of isomeric structures (1983) (36)
The Kirchhoff index and the matching number (2009) (36)
The conjugated-circuit model: application to benzenoid hydrocarbons☆ (1989) (36)
The characteristic polynomial of a chemical graph (1988) (35)
Random Walks and Chemical Graph Theory (2004) (35)
Distance Indices and Their Hyper-Counterparts: Intercorrelation and Use in the Structure-Property Modeling (2001) (35)
Wiener index revisited (2001) (35)
Viewpoint 4 — Comparative structure-property studies: the connectivity basis (1993) (34)
Graph theory and molecular orbitals—VI (1973) (34)
Ground states of conjugated molecules—XVIII (1965) (33)
Aromatic inorganic rings (1980) (33)
Semiempirical SCF–MO treatment of excited states of aromatic compounds (1971) (33)
Modelling the interaction of small organic molecules with biomacromolecules. I. Interaction of substituted pyridines with anti-3-azopyridine antibody. (1986) (33)
On computation of the topological resonance energy (1982) (32)
Quantum chemical data. I. SCF molecular orbitals for benzenoid hydrocarbons (1970) (32)
Preference Functions for Prediction of Membrane-buried Helices in Integral Membrane Proteins (1998) (32)
On Randic's molecular identification numbers (1985) (32)
Maximum eigenvalues of the reciprocal distance matrix and the reverse Wiener matrix (2008) (32)
Hueckel rules and electron correlation (1984) (31)
On the Enumeration of 2‐Factors of Polyhexes (1986) (31)
[N]phenylenes : a theoretical study (1991) (30)
On sum-connectivity matrix and sum-connectivity energy of (molecular) graphs. (2010) (30)
Graph theory and molecular orbitals. XV. The Hückel rule (1976) (30)
On the geometric-distance matrix and the corresponding structural invariants of molecular systems (1991) (30)
Alkanes with the First Three Maximal/Minimal Modified First Zagreb Connection Indices (2019) (29)
The conjugated-circuit model (1990) (29)
Critical test for resonance energies (1987) (29)
Bounds on the Balaban Index (2008) (29)
The Harary Index of a Graph (2015) (29)
Stability of fullerenes with four-membered rings (1995) (29)
Comparison between the Vertex- and Edge-Connectivity Indices for Benzenoid Hydrocarbons (1998) (28)
Overall Molecular Descriptors. 3. Overall Zagreb Indices (2001) (28)
On the concept of the weighted spanning tree of dualist (1990) (28)
Trees with maximal second Zagreb index and prescribed number of vertices of the given degree (2008) (27)
Molecular graphs having identical spectra (1976) (27)
Conjugated molecules having integral graph spectra (1974) (26)
Complexity of Molecules (2003) (26)
On the discriminatory power of the Zagreb indices for molecular graphs (2005) (26)
Link between Orthogonal and Standard Multiple Linear Regression Models (1996) (26)
Graphical studies on the relations between the structure and reactivity of conjugated systems: the role of non-bonding molecular orbitals (1975) (26)
Topological Resonance Energies of Conjugated Structures (1980) (26)
Protein transmembrane structure: recognition and prediction by using hydrophobicity scales through preference functions (1998) (26)
Algebraic characterization of bridged polycyclic compounds (1981) (25)
On use of the variable Zagreb vM2 index in QSPR: boiling points of benzenoid hydrocarbons. (2004) (25)
Mathematical Properties of Molecular Descriptors Based on Distances (2010) (25)
Detour and Cluj-detour indices (1998) (25)
Theoretical studies of positional isomers obtained by annelation of benzene and 5-membered ring heterocyclics containing nitrogen, oxygen, or sulphur☆ (1972) (25)
Hueckel molecular orbital calculations of the index of aromatic stabilization of polycyclic conjugated molecules (1972) (25)
Comment on the paper: ``Properties of the latent roots of a matrix. Estimation of π‐electron energies'' by B. J. McClelland (1973) (24)
Toward Generating Simpler QSAR Models: Nonlinear Multivariate Regression versus Several Neural Network Ensembles and Some Related Methods (2003) (24)
Chemistry of Coumarins. ‐ Nucleophilic Substitutions of 4‐Chloro‐3‐nitrocoumarin with Hard and Soft Nucleophiles (1983) (24)
Use of small computers for large computations: enumeration of polyhex hydrocarbons (1990) (24)
ISOMERIC VARIATIONS IN ALKANES : BOILING POINTS OF NONANES (1994) (23)
Quantum-mechanical and computational aspects of the conjugated-circuit model (1991) (23)
Hückel Theory and Topology (1977) (22)
Relation between the Wiener Index and the Schultz Index for Several Classes of Chemical Graphs (1993) (22)
New Developments in QSPR/QSAR Modeling Based on Topological Indices (1997) (22)
Aromatic stability of heterocyclic conjugated systems (1985) (21)
On the identification numbers for chemical structures (1986) (21)
Studies on novel heterocyclic ring systems. Reaction of 4‐hydroxylcoumarin with o‐aminobenzaldehyde and 2‐mercaptoaniline (1980) (21)
Molecular topological index: An extension to heterosystems (1993) (21)
QSPR Modeling: Graph Connectivity Indices versus Line Graph Connectivity Indices (2000) (21)
On the Aromatic Stability of a Conjugated C60 Cluster (1987) (21)
Notes on Some Less Known Early Contributions to Chemical Graph Theory (1994) (20)
Graphical bond orders: Novel structural descriptors (1994) (20)
Nanotubes: Number of Kekulé Structures and Aromaticity (2003) (20)
Structure-Activity Correlation of Flavone Derivatives for Inhibition of cAMP Phosphodiesterase (1996) (20)
A Structure-Property Study of the Solubility of Aliphatic Alcohols in Water (1995) (20)
On reciprocal molecular topological index (2008) (20)
On computing the molecular detour matrix (1997) (20)
Coding and Ordering Kekulé Structures (2004) (20)
Resonance in random π-network polymers (1987) (20)
Theoretical study of cyclazines (1969) (20)
Note on the Resistance Distances in the Dodecahedron (2000) (19)
A Novel Version of the Edge-Szeged Index (2011) (19)
A Novel QSPR Approach to Physicochemical Properties of the α-Amino Acids (1995) (19)
Topological resonance energies of conjugated ions, radicals, and ion radicals (1980) (19)
Calculation of Retention Times of Anthocyanins with Orthogonalized Topological Indices (1995) (19)
On Zagreb Eccentricity Indices (2011) (19)
On the Coulson integral formula for total π-electron energy (1975) (19)
Graphical description of möbius molecules (1976) (19)
The algebraic modelling of chemical structures: On the development of three-dimensional molecular descriptors (1991) (19)
Composition as a method for data reduction: application to carbon-13 NMR chemical shifts (1988) (18)
On the distance polynomial of a graph (1983) (18)
Application of topographic indices to chromatographic data: calculation of the retention indices of alkanes (1991) (18)
On reducing correlations between topological indices (2005) (18)
On reciprocal complementary Wiener number (2009) (18)
On irreducible endospectral graphs (1986) (18)
Inorganic aromatic rings: the .pi. electronic structure of boron sulfide (B8S16) (1982) (18)
Correlation of liquid viscosity with molecular structure for organic compounds using different variable selection methods (2002) (18)
Enumeration in chemistry (2002) (17)
Bond dissociation enthalpies calculated by the PM3 method confirm activity cliffs in radical scavenging of flavonoids (2008) (17)
On the three-dimensional wiener number. A comment (1990) (17)
APPLICATION OF PHOTOELECTRON SPECTROSCOPY TO BIOLOGICALLY ACTIVE MOLECULES AND THEIR CONSTITUENT PARTS. 6. OPIATE NARCOTICS (1979) (17)
Modified Zagreb M-2 index - Comparison with the Randic connectivity index for benzenoid systems (2003) (17)
Graph Theory and Molecular Orbitals—XIAromatic substitution☆ (1975) (16)
Use of Variable Selection in Modeling the Secondary Structural Content of Proteins from Their Composition of Amino Acid Residues (2004) (16)
Kekulé count and algebraic structure count for unbranched alternant cata-fusenes☆ (1988) (16)
Pyracylene Rearrangement Classes of Fullerene Isomers (1993) (16)
Molecular ID Numbers (1986) (16)
On topological characterization of molecular branching (2009) (16)
Comparison between the Wiener index and the Zagreb indices and the eccentric connectivity index for trees (2014) (16)
Comparison Between Geometric-arithmetic Indices (2012) (16)
Enumeration of Benzenoid and Coronoid Hydrocarbons (1987) (16)
On Counting Polyhex Hydrocarbons (1989) (16)
Comparison between the structure–boiling point relationships with different descriptors for condensed benzenoids (1998) (15)
Aromaticity in bridged heteroannulenes (1984) (15)
Triplet states of aromatic hydrocarbons (1970) (15)
On the classification of polyhex hydrocarbons (1990) (15)
Pascal recurrence algorithm for Kekulé-structure counts of benzenoid and coronoid hydrocarbons (1990) (15)
Theoretical study of iso-condensed thienopyrroles (1971) (15)
Isospectbal graphs revisited (1989) (14)
Much ado about nothing—an introductive inquiry about zero (1998) (14)
Molecular topological index: An application in the QSAR study of toxicity of alcohols (1992) (14)
A linear relationship between the total π-electron energy and the characteristic polynomial (1976) (14)
The Use of the Ordered Orthogonalized Multivariate Linear Regression in a Structure-Activity Study of Coumarin and Flavonoid Derivatives as Inhibitors of Aldose Reductase (1997) (14)
Altered Wiener Indices of Thorn Trees (2007) (14)
Toxic effects and a structure--property study of organic explosives, propellants, and related compounds. (1994) (14)
TAM: A Program for the Calculation of Topological Indices in QSPR and QSAR Studies (1997) (14)
A Comparative QSAR Study of Benzamidines Complement-inhibitory Activity and Benzene Derivatives Acute Toxicity (2000) (14)
Conformation and photoelectron spectra of 2-(2-furyl)pyrrole and 2-(2-thienyl)pyrrole (1981) (14)
Zagreb Indices: Extension to Weighted Graphs Representing Molecules Containing Heteroatoms* (2007) (13)
Interstellar polyynes and related species (1986) (13)
Analytical approach to very large benzenoid polymers (1995) (13)
A formula with its applications on the difference of Zagreb indices of graphs (2019) (13)
QSPR study of polarographic half-wave reduction potentials of benzenoid hydrocarbons (2006) (13)
Combinatorial Enumeration in Chemistry (13)
The conjugated circuits model (1988) (13)
Modelling the interaction of small organic molecules with biomacromolecules. III. Interaction of benzoates with anti-p-(p'-azophenylazo)benzoate antibody. (1986) (12)
Chemical Information Theory: Structural Aspects (2009) (12)
Extremal Properties of the Zagreb Eccentricity Indices (2012) (12)
A Rational Selection of Graph-Theoretical Indices in the QSAR (1988) (12)
The conjugated-circuit model: application to nonalternant hydrocarbons and a comparison with some other theoretical models of aromaticity (1992) (11)
Clar Polynomials of Large Benzenoid Systems (1998) (11)
The topology and the aromaticity of coumarins (1982) (11)
Synthesis and electrochemical study of benzothiazine and phenothiazine derivatives (1987) (11)
Graph Theory in Chemistry — Generalisation of Sachs' Formula (1974) (11)
Calculations on the energy levels of alternant hydrocarbon anions (1966) (11)
Prediction of pK Values, Half-Lives, and Electronic Spectra of Flavylium Salts from Molecular Structure (1999) (11)
A Graph-theoretical Analysis of the HOMO-LUMO Separation in Conjugated Hydrocarbons (1974) (11)
The Detour Matrix and the Detour Index (2000) (11)
Minimal Spectrum-Sums of Bipartite Graphs with Exactly Two Vertex-Disjoint Cycles (2008) (11)
Computer generation of all 1-factors for a class of graphs with all vertices of degree two or three (1984) (11)
Application of topological indices to chromatographic data (1993) (11)
On structural features characterizing conductivity in polymeric conjugated hydrocarbons (1977) (10)
Bond length–bond order relations and calculated geometries for some benzenoid aromatics, including phenanthridine. Structures of 5,6‐dimethylphenanthridinium triflate, [N‐(6‐phenanthridinylmethyl)‐aza‐18‐crown‐6‐κ5O,O',O'',O''',O''''](picrate‐κ2‐O,O')potassium, and [N,N'‐bis(6‐phenanthridinyl‐κN‐met (1996) (10)
Graph Theory in Chemistry II. Graph-Theoretical Description of Heteroconjugated Molecules (1975) (10)
The Conjugated-Circuits Model: On the Selection of the Parameters (1990) (10)
Vitisin-Type Pigments: Possible Novel Food Colors (2000) (10)
Enumeration of Kekule Structures for Helicenic Systems (1988) (10)
Distance-Related Indexes in the Quantitative Structure—Property Relationship Modeling. (2001) (10)
Conjugation and aromaticity of macrocyclic systems (1988) (10)
Experimental and theoretical study of the styrylbenzopyrylium chromophore (1992) (10)
Computer enumeration of substituted polyhexes (1984) (10)
Calculation of the bond lengths in sulfur-containing heterocyclic systems (1969) (10)
On variable Wiener index (2003) (10)
Eight pi-electron ring systems (1971) (10)
A theoretical study of flavylium salts (1991) (10)
Kekulé index for valence bond structures of conjugated systems containing cyclobutadiene (1978) (10)
Conformational analysis and electronic structure of phenylthiazoles and their protonated forms (1972) (10)
O Zagrebačkim indeksima (2010) (10)
On the classification of polyhexes (1992) (10)
Maximum valence structures in nonbenzenoid polycyclic hydrocarbons (1991) (9)
MERCURY IN THE ENVIRONMENT (1977) (9)
Aromatic stability of bridged annulenes (1981) (9)
Complexity of Some Interesting (Chemical) Graphs (1996) (9)
2-Difluoromethylthio-4, 6-bis(monoalkylamino)-1, 3, 5-triazines as Inhibitors of Hill Reaction: A QSAR Study with Orthogonalized Descriptors (1996) (9)
Computers of tomorrow (2009) (9)
Topological resonance energy approach to homoaromaticity (1980) (9)
Compact Codes: On Nomenclature of Acyclic Chemical Compounds (1995) (9)
THE DETOUR MATRIX AND THE DETOUR INDEX OF WEIGHTED GRAPHS (1996) (9)
Comments on the PMO method (1972) (9)
Sulfur-nitrogen rings: Relative stabilities and structures (1985) (9)
Selected Theorems in Chemical Graph Theory (2016) (9)
The generalized Wheland polynomial (1987) (9)
The walk ID number revisited (1993) (9)
On the number of kekulé structures of unbranched cata-condensed benzenoid chains (1987) (9)
Resonance energies of fullerenes with 4‐membered rings (1995) (9)
Applications of the Reduced Graph Model. Enumeration of KekuleStructures for Certain Classes of Large Benzenoid Hydrocarbons (1986) (9)
On the difference in bond orders between HMO and PPP methods (1990) (9)
Relations Between the Product- and Sum-connectivity Indices (2012) (8)
Bond dissociation enthalpies calculated by the PM3 method confirm activity cliffs in radical scavenging of flavonoids (2008) (8)
Aromaticity in polycyclic conjugated hydrocarbon dianions (1989) (8)
On the extension of the Hückel rule to polycyclic non-alternant conjugated hydrocarbons (1976) (8)
Modelling the interaction of small organic molecules with biomacromolecules. II. A generalized concept for biological interactions. (1986) (8)
On the Permanental Polynomial (2018) (8)
A note on the classification and enumeration of coronoid hydrocarbons (1990) (8)
On the Relative Stabilities of Conjugated Heterocycles Containing Divalent Sulfur (1986) (8)
On reverse degree distance (2010) (8)
New developments in Hückel theory (2009) (8)
BOND LENGTHS AND BOND ORDERS IN BENZENOID HYDROCARBONS AND RELATED SYSTEMS: A COMPARISON OF VALENCE BOND AND MOLECULAR ORBITAL TREATMENTS (1998) (8)
On the complexity of Archimedean solids (2006) (8)
On the lack of reactivity of Buckminsterfullerene. A theoretical study (1990) (8)
Predicting Inhibition of Microsomal p-Hydroxylation of Aniline by Aliphatic Alcohols: A QSAR Approach Based on the Weighted Path Numbers (2001) (8)
Ground states of conjugated molecules—XIV: Redox potentials of quinones (1969) (8)
Computer generation and identification of carcinogenic bay regions in benzenoid hydrocarbons (1983) (8)
On conjugated–circuit polynomials (1994) (8)
On relationships between vertex-degrees, path-numbers and graph valence-shells in trees (2002) (8)
On the aromatic stability of azulenofurans, azulenopyrroles and azulenothiophenes (1987) (8)
On the generalized approach to the structure count (1986) (8)
On the aromatic stabilities of thiophene analogues of helicenes (1988) (8)
Compact molecular codes for polycyclic systems (1988) (7)
DNA replication past pyrimidine dimers in the absence of repair. (1983) (7)
On the path-Zagreb matrix (2009) (7)
Graphical matrices in chemistry (2005) (7)
The sum-connectivity index--an additive variant of the Randic connectivity index. (2013) (7)
Molecular Orbital Calculations for the Benzothiophenes and Naphthothiophenes (1968) (7)
Comparative study of large molecules. Highly accurate calculation of a limit for infinite systems from data on finite systems (1995) (7)
Application of photoelectron spectroscopy to biologically active molecules and their constituent parts. IX. 1,4‐Benzodiazepin‐2‐ones (1983) (7)
On the Relation between the P'/P Index and the Wiener Number (1996) (6)
QSAR: Theory and Application (1990) (6)
Magnetic susceptibilities and resonance energies of annelated [14] - and [18] annulenes (1983) (6)
Application of the INDO-MO method to the calculation of hyperfine coupling constants of sulphur-containing radicals - II. — Polycyclic radicals (1973) (6)
Graph-Theoretical Correlations - Artifacts or Facts? (1993) (6)
Tautomerism of Phenols–A Theoretical Study (1970) (6)
A note on the number of spanning trees in buckminsterfullerene (1994) (6)
Computer-oriented molecular codes (1990) (6)
1046. Maximum overlap hybridisation in methyl substituted cyclopropanes (1965) (6)
Planar rearrangements of fullerenes. (2001) (6)
A COMPARATIVE STUDY OF SEVERAL SIMPLE AROMATICITY MODELS FOR BENZENOID HYDROCARBONS (1993) (6)
On the Dewar definition of resonance energy (1973) (6)
On the determinant of the adjacency-plus-distance matrix as the topological index for characterizing alkanes (1991) (6)
Protein secondary structure conformations and associated hydrophobicity scales (1993) (6)
Calculation of proton coupling constants for dibenzothiophene radical anion (1968) (6)
Aromatic properties of fully-benzenoid hydrocarbons . (1994) (6)
Modeling the Aqueous Solubility of Aliphatic Alcohols (1998) (6)
A novel approach to the characterization of chemical structures (1984) (6)
Atomic Walk Counts of Negative Order (2003) (5)
On the Number of Spanning Trees in Fullerenes (1994) (5)
On the z-counting polynomial for edge-weighted graphs (1992) (5)
On the classification and enumeration of planar polyhex hydrocarbons (1991) (5)
On the Hosoya Z Index of General Graphs (2003) (5)
Structure-water solubility modeling of aliphatic alcohols using the weighted path numbers (2002) (5)
On reciprocal reverse Wiener index (2009) (5)
Inhibition of the Hill reaction by 2-methylthio-4,6-bis (monoalkylamino)-1,3,5-triazines A QSAR study (1997) (5)
On the Relative Stability of Nonbenzenoid Alternant Hydrocarbons (1991) (5)
Graph-theoretical Search for Benzenoid Polymers with Zero Energy Gap (1980) (5)
A graph-theoretical classification of conjugated hydrocarbons (1973) (5)
Aromaticity in heterocyclic molecules containing divalent sulfur (1989) (5)
Application of the reduced graph model to the sextet polynomial (1984) (5)
Scale-invariant power law and fractality for molecular weights (2001) (5)
Chemical graph theory: Part VII. The use of Ulam sub-graphs in obtaining characteristic polynomials (1988) (5)
The Connectivity Indices of Regular Graphs (1999) (5)
On the use of the weighted identification numbers in the QSAR study of the toxicity of aliphatic ethers (1987) (5)
The spin density distribution in the benzyl radical (1971) (5)
Chemical Graph Theory. V. On the Classification of Topological Biradicals (1983) (5)
Harary Matrices: Definitions, Properties and Applications (2011) (5)
Localised orbitals for some simple molecules (1967) (5)
A THEORETICAL STUDY OF FULLY ARENOID SYSTEMS (1990) (4)
Bond-additive Modeling. 3. Comparison between the Product-connectivity Index and Sum-connectivity Index (2010) (4)
Chemical graph theory. II. On the graph theoretical polynomials of conjugated structures (2009) (4)
Toxicity of Aliphatic Ethers: A Comparative Study (2006) (4)
Theoretical Studies on the Electronic Spectra of Isomeric Bifurans, Bipyrroles, Bithiophenes, Thienylfurans, Thienylpyrroles, and Furylpyrroles (1973) (4)
Conjugated circuits in excited valence structures (1989) (4)
Mechanism of photosensitized dimerization of pyrimidines (1968) (4)
Excitation spectra for degenerate rearrangements (1995) (4)
Predicting Membrane Protein Secondary Structure:Preference Functions Method for Finding Optimal Conformational Parameters (1993) (4)
Counting Kekulé Structures of Benzenoid Parallelograms Containing One Additional Benzene Ring (2006) (4)
ON THE CONCEPT OF A CHEMICAL MODEL (1997) (4)
About one - an inquiry about the meanings and uses of the number one (2000) (4)
Some ab Initio Calculations on Indole, Isoindole, Benzofuran, and Isobenzofuran (1974) (4)
Computing the Characteristic Polynomial of a Conjugated System Using the Sachs Theorem * a (2018) (4)
On the Topological Resonance Energy of Porphins and Related Structures (1981) (4)
[Man, the environment and ozone]. (1994) (4)
Topological Complexity of Molecules (2009) (4)
Nanotubes: Number of Kekule Structures and Aromaticity. (2003) (4)
Note on the application of the reduced graph model in conjunction with search trees to the enumeration ofKekulé structures (1984) (4)
On Assembling Fullerenes from Identical Fragments (1994) (4)
QSAR of Flavylium Salts as Inhibitors of Xanthine Oxidase (1999) (4)
On QSAR modeling (1996) (4)
The Characteristic Polynomial as a Structure Discriminator (1997) (4)
A graphical study of positional isomers containing bivalent sulphur (1974) (4)
Phenanth- and anth-fused benzannelated annulenes: A graph—theoretical study (1988) (4)
SCFMO Study of the Tautomerism of Anilino-Thiazole and Related Compounds (1971) (4)
Ground states of conjugated molecules–XXI (1970) (4)
On extended connectivity indices (2009) (4)
Errata. The Walk ID Number Revisited (1993) (4)
Theoretical study of azacyclazines (1978) (4)
Complexity of Molecules. (2000) (4)
On the calculation of the HPLC parameters for polycyclic aromatic hydrocarbons (1985) (3)
On symmetry and asymmetry in literature (1986) (3)
INORGANIC AROMATIC RINGS: THE Π ELECTRONIC STRUCTURE OF BORON SULFIDE (B8S16) (1982) (3)
Cyclobutadiene, Benzocyclobutadiene, and Biphenylene (1973) (3)
Factors contributing to the stability of conjugated heterocycles containing a single heteroatom (1977) (3)
Free valence indices of carbon in heterocyclic compounds (1968) (3)
4-Carboxyflavylium Salts: Stable Red Dyes? (1994) (3)
Möbius Inversion on a Poset of a Graph and Its Acyclic Subgraphs (1996) (3)
On the Eigenvalues of the Ordinary and Reciprocal Resistance‐Distance Matrices (2009) (3)
Enumeration and classification of coronoid hydrocarbons: note to a note (1990) (3)
A semi-empirical investigation of the annulenes (1969) (3)
What Can Be Said about the Number 13 beyond the Fact that It Is a Prime Number (2004) (3)
The area generating function for simple-2-column polyominoes with hexagonal cells (2009) (3)
On the intercorrelation of topological indices in benzenoid hydrocarbons (1992) (3)
Parity of Kekulé structures revisited (1985) (3)
Localised molecular orbitals in simple polyatomic molecules (1969) (3)
Modeling solubility of aliphatic alcohols in water. Graph connectivity indices versus line graph connectivity indices (2000) (3)
A Comparison between the Matula Numbers and Bit-tuple Notation for Rooted Trees (1995) (2)
Kako vrednovati znanstvenike (2007) (2)
Essays on science and scientists (1998) (2)
Bit-tuple Notation for Trees (1994) (2)
Mathematical studies of Kekulé structures (2007) (2)
Topics in Current Chemistry 166: Computer Chemistry (1993) (2)
An SCF MO Treatment of Tropone Radical Anion (1971) (2)
The electronic properties of conjugated ions. II (1968) (2)
Quantum theory in chemistry (2002) (2)
The Aromatic Stability of Helicenic Systems (1989) (2)
Semiempirical Calculation of Bond Lengths in Cyclopentadienyl Ligands (1967) (2)
The reduced graph model revisited (1991) (2)
Graphs in Chemistry (1977) (2)
Chemical Nomenclatures and the Computer (1994) (2)
On the molecular connectivity and π-electronic energy in polycyclic hydrocarbons (1988) (2)
The Mathematical Tourist (1999) (2)
Boiling Points of Alcohols - A Comparative QSPR Study (2006) (2)
THE NUMBER FIVE IN BIOLOGY (1998) (2)
Coding and Ordering Kekule Structures. (2004) (2)
Sum-connectivity indices of trees and unicyclic graphs of fixed maximum degree (2012) (2)
Hosoya Matrices as the Numerical Realization of Graphical Matrices and Derived Structural Descriptors (2007) (2)
Chemical Graph Theory . VII.1 Enumeration and Generation of the Non-ionic/Radical Members of Cyanopolyyne Family (1986) (2)
Antioxidant QSAR modeling as exemplified on polyphenols. (2008) (2)
On the assembling of fullerenes from cyclocarbons (1996) (2)
Chemistry of coumarins: synthesis of some 3,4-substituted coumarins using the HSAB principle (1985) (2)
Use of Variable Selection in Modeling the Secondary Structural Content of Proteins from Their Composition of Amino Acid Residues. (2004) (2)
A note on the enumeration of Kekulé structures in a class of coronoids (1993) (2)
Marija Kastela-Macan, Vizionari kemijsko-tehnoloskoga studija (Visionars of Chemical-Technological Studies), Mentor, Zagreb, 2004 (2005) (2)
If you want to be leader, think! (1989) (2)
C60 - An Abiotic Terpenoid? (1995) (2)
Kekulene and antikekulene (1994) (2)
Fibonacci graphs possessing identical matching polynomials (1985) (2)
Reciprocal spanning-tree density: a new index characterising the intricacy of (Poly)cyclic Molecular-Graph (2003) (2)
On the intercorrelation of topological indices (1989) (2)
The kinetics of unsymmetrical quinone–hydroquinone redox reactions (1967) (2)
Secondary structure prediction quality for naturally occurring amino acids in soluble proteins (1995) (2)
Felix Klein’s Commemorative Plaque in Düsseldorf (1999) (2)
Krešimir Humski (1939-1997) (1998) (1)
AB initio study of methyl substituted allyl cations (1976) (1)
Modeling blood-brain barrier penetration using descriptors computed by the DRAGON and CERIUS2 (2004) (1)
Critical Test for Resonance Energies. (1988) (1)
On aromatic stability of oxygen‐ imino‐, and sulfur‐bridged [18]annulenes (1976) (1)
Master connectivity index and master connectivity polynomial. (2010) (1)
Comparison of the hosoya Z-indices for simple and general graphs of the same size (2005) (1)
Friedel-crafts acylalion of 3-carboxymethylbenzo[B] thiophenes, LIS-nmr and HOMO study of regioselectivity (1979) (1)
On the computation of characteristic polynomial of a chemical graph (2009) (1)
The Four Connectivity Matrices, Their Indices, Polynomials and Spectra (2015) (1)
A simple QSAR model for trypsin aminopeptidase inhibitory flavonoids (1997) (1)
Notizen: Reactivity of Thiophthenes; a Theoretical Study (1967) (1)
The Interplay Between Graph Theory and Molecular Orbital Theory (1994) (1)
Symmetry of Molecules (1994) (1)
On the Novel Balaban-like and Balaban-Detour-like Molecular Descriptors (2013) (1)
On the Relationship between π-Electron Energy and Topological Resonance Energy (2006) (1)
GRAPH THEORY AND MOLECULAR ORBITALS PART 6, A DISCUSSION OF NON-ALTERNANT HYDROCARBONS (1974) (1)
Total pi-Electron Energy (1977) (1)
Benzenoid graphs with equal maximum eigenvalues (1994) (1)
TOPOLOGICAL RESONANCE ENERGIES OF THIENOPYRIMIDINES (1997) (1)
Ab initio molecular orbital studies in quantum biology. Electronic characteristics of indole and benzofuran. (1976) (1)
On the number of square-cell configurations (1993) (1)
Graph-theoretical approach to the estimation of the energy gap of polymeric conjugated hydrocarbons (1979) (1)
Most Cited Papers in Croatica Chemica Acta (2010) (1)
On the similarity of chemical structures (2009) (1)
Localised orbitals of water (1966) (1)
On the K(4n + 2) rule for fullerenes (1994) (1)
Aromatic Stabilities of Bridged Polyenes (1986) (1)
On Reciprocal and Reverse Balaban Indices (2009) (1)
GRAPH THEORY AND MOLECULAR ORBITALS PART 11, AROMATIC SUBSTITUTION (1975) (1)
Kekulé Structure Counts in Damaged Benzenoid Paralelograms (2006) (1)
On the Benzenoid Character of Polycyclic Conjugated Hydrocarbons (2016) (1)
A GRAPH‐THEORETICAL CLASSIFICATION OF CONJUGATED HYDROCARBONS (1973) (1)
On the additive version of the connectivity index (2012) (1)
Price–performance relationship of microcomputers and main frames for calculations in theoretical chemistry (1984) (1)
Notes on isocodal graphs (1995) (1)
Novel expressions for electronic density distribution calculations (1968) (1)
The walk ID number revisited. [Erratum to document cited in CA118: 146918] (1995) (1)
GRAPH THEORY AND MOLECULAR ORBITALS PART 13, ON THE STABILITY OF ANNELATED TROPYLIUM CATIONS (1975) (0)
On Additivity of Heats of Atomization of Benzenoid Hydrocarbons (2018) (0)
Thienylpyrroles : Theoretical Studies on the Preferred Conformation and Electronic Structure (2014) (0)
Editorial Foreword (1991) (0)
History of Chemistry and Chemical Engineering Croatian Chemistry in the 20th Century. III. from the Establishment of the Republic of Croatia on June 25th, 1991 to the End of the Century (2012) (0)
Editorial foreword (1993) (0)
Reactivity of Thiophthenes; a Theoretical Study (1967) (0)
On Acyclic Polynomials of [ N ] - (2018) (0)
ON MOLECULES HAVING IDENTICAL TOPOLOGICAL SPECTRA (1974) (0)
Lack of Reactivity of Buckminsterfullerene. A Theoretical Study. (1990) (0)
A Remark on the Naming of Cata-Condensed Benzenoids with Base 5 Numbers (1995) (0)
Mladen Mintas, Silvana Raić-Malić, Nenad Raos: Principles of Drug Design Mladen Mintas, Silvana Raić-Malić, Nenad Raos: Drugs in the space – pharmacophores and receptors (2007) (0)
Organic Explosives as Dangerous Environmental Xenobiotics - QSAR Study (1996) (0)
Editorial foreword (1993) (0)
Reactivity of Conjugated Structures (1977) (0)
Note to the editorSpin labels in membranes: a simple MO study of some methyl substituted polyene radicals (1980) (0)
On the Parity of Kekule Structures (2018) (0)
Improved interpretation of thermal stability models of nitroaromatics by an efficient selection of descriptors and by the use of chemical shifts as decriptors (2018) (0)
Od sekvencije do konformacije proteinâ. I. (1996) (0)
A QSAR study of the anti-tumouric activity of phenyltriazines (1989) (0)
Kinetic and thermodynamic characterisation of Nα-acetyl microperoxidase-8 interaction with hydrogen peroxide and acetyl hydroperoxide (1997) (0)
Book reviews (1989) (0)
Konstantin Georgević i Zvonimir Pinterović, doktori kemije (2014) (0)
Relation Between the Harary Index and Related Topological Indices (2015) (0)
On Some Interesting Results Achieved in Chemical Graph Theory in Croatia (2006) (0)
Comparative modeling of anesthetic activities of organic compounds by semi-empirical structural parameters and topological descriptors (2017) (0)
Croatian Chemistry in the 20th Century. II. From the Collapse of Independent State of Croatia on May 8th, 1945 to the Establishment of the Republic of Croatia on June 25th, 1991. (2009) (0)
Multivariate Regression Excels Neural Networks, Genetic Algorithm and Partial Least-Squaresin Qsar Modeling (2000) (0)
Editorial Foreword (1993) (0)
MARKO BRANICA (1931–2004) (2005) (0)
A SCF MO Treatment of Some Tropone Derivatives (2015) (0)
Generalized Approach to the Structure Count (1986) (0)
Notizen: Reactivity Indices in Benzotropones (1968) (0)
A graph-theoretical study of positional isomers (1973) (0)
CHEMISTRY OF COUMARINS. - NUCLEOPHILIC SUBSTITUTIONS OF 4-CHLORO-3-NITROCOUMARIN WITH HARD AND SOFT NUCLEOPHILES (1984) (0)
Coding and Ordering Benzenoids and Their Kekulé Structures (2011) (0)
Osvrti: Hirschov indeks h nekih sadašnjih i bivših članova Grupe za teorijsku kemiju Instituta "Rugjera Boškovića" (2008) (0)
The Distance Matrix and Related Matrices (2015) (0)
Molecular Orbital Calculations for [ 18 ] Annulene Trioxide (2018) (0)
On the scientific method (1989) (0)
Synthesis and Electrochemical Study of Benzothiazine and Phenothiazine Derivatives. (1988) (0)
Tetra-cycloalkanes. I. (1971) (0)
Improved QSAR modeling of acute aquatic toxicity of benzene derivatives (2002) (0)
Vinko Škarić (1923–2006) (2006) (0)
Equivalent Orbitals of C2H2, C2H4, and C2H6 (1967) (0)
The Construction of Hosoya Matrices (2006) (0)
On the Reference Structure for the Resonance Energy of Aromatic Hydrocarbons (2018) (0)
On the correlation between graph-theoretical indices and physical properties of hydrocarbons. Prediction of densities of n-alkane mixtures (1989) (0)
A novel algorithm for QSAR (2009) (0)
NOTE ON THE APPLICATION OF THE REDUCED GRAPH MODEL IN CONJUNCTION WITH SEARCH TREES TO THE ENUMERATION OF KEKULE STRUCTURES (1985) (0)
Professor Milan Randić - an Adventurous Scientist (1997) (0)
Paths and walks in acyclic structures: Kenograms versus plerograms (2005) (0)
Therapeutic Effect of Water Extract Leaf Kedondong (Lannea Coromandelica) to Levels of Malondialdehyde (MDA) and Protease Activity in Ileum Rat (Rattus norvegicus) Inflammatory Bowel Disease (IBD) Induced by Indomethacin (2012) (0)
Notizen: Violation of the Dewar-Longuet-Higgins Conjecture (1974) (0)
The Variants of Harary Index (2015) (0)
Simplified structure-solubility relationships for early ADME evaluation in drug discovery (2004) (0)
Milan Randic: Life and work (2002) (0)
Croatian Chemists. II. Karlo Weber (2009) (0)
BOOK REVIEW: Medicinska kemija [Medicinal Chemistry] by Mladen Mintas and Silvana Raić-Malić (2010) (0)
Review of the book Living Heritage of Vladimir Prelog, by M. Kaštelan-Macan (2009) (0)
Calculation of topological molecular descriptors based on degrees of vertices (2019) (0)
Croatian-Slovenian crystallographic meetings and their echo in Croatica chemica acta (2002) (0)
THEORETICAL STUDY OF TRIAFULVENE, FULVENE, HEPTAFULVENE, AND THEIR O‐ AND N‐HETEROANALOGS (1979) (0)
Application of Reduced Graph Model to the Enumeration of Kekule Structures and Conjugated Circuits of Benzenoid Hydrocarbons (2018) (0)
BOOK REVIEW: MILJENKO DUMIĆ, KRUNOSLAV KOVAČEVIĆ, Ogledi o Vladimiru Prelogu; Editor-in-Chief Marija Kaštelan-Macan (2010) (0)
The Spin Density Distribution in the Hydrocarbon Radical Anions (1971) (0)
GRAPH THEORY AND MOLECULAR ORBITALS PART 10, THE NUMBER OF KEKULE STRUCTURES AND THE THERMODYNAMIC STABILITY OF CONJUGATED SYSTEMS (1975) (0)
Boris Matković (1927–2005) (2005) (0)
On Zagreb Complexity Indices (2004) (0)
FIVEFOLD SYMMETRY IN THE LITERATURE (1992) (0)
Graphical Matrices as Sources of Double Invariants for Use in QSPR (2019) (0)
Zdravko Ježić (1931–2005) (2005) (0)
Lionello Pogliani: Numbers Zero, One, Two, and Three in Science and Humanities (2007) (0)
Graph Theory and Molecular Orbitals . XX . * Local and Long Range Contributions to Bond Order (2018) (0)
Recognition of Membrane Protein Structure from Amino Acid Sequence (2002) (0)
FRIEDEL-CRAFTS ACYLATION OF 3-(CARBOXYMETHYL)BENZO(B)THIOPHENES AND A LIS-NMR AND HOMO STUDY OF REGIOSELECTIVITY (1980) (0)
Activation Hardness as an Index for Predicting the Orientation of Nucleophilic Aromatic Substitution: Application to Flavylium Salts (2010) (0)
Doprinos profesora Franje Krleže prikazu periodnoga sustava elemenata (2017) (0)
Croatian great scientists (1996) (0)
Future Papers. (1999) (0)
100 Croatian Chemists (2002) (0)
Some Properties and Applications of Harary Index (2015) (0)
István Lukovits (1945–2007) (2007) (0)
Leopold Ružička – first Croatian Nobel laureate (2005) (0)
In Memoriam - Erich Hückel (1896-1980) (1981) (0)
STUDIES ON NOVEL HETEROCYCLIC RING SYSTEMS. REACTION OF 4-HYDROXYLCOUMARIN WITH O-AMINOBENZALDEHYDE AND 2-MERCAPTOANILINE (1980) (0)
On the Nature of Theoretical Research (1996) (0)
GRAPH THEORY AND MOLECULAR ORBITALS PART 7, THE ROLE OF RESONANCE STRUCTURES (1975) (0)
Applications of the Cauchy inequalities in simple molecular orbital theory (1977) (0)
CYCLOBUTADIEN UND VICINALES DIPHENYLCYCLOBUTADIEN (1971) (0)
Graph theory and molecular orbitals. XVII. On the self‐polarizability of the atom (1976) (0)
Aromatic Stabilities of Thiophene Analogues of Helicenes. (1989) (0)
Clar Polynomials of Large Benzenoid Systems. (2010) (0)
Compact Molecular Codes for Annulenes, Aza-annulenes, Annule- noannulenes, Aza-anmilenoannulenes, Cyclazines and Aza-cyclazines (1990) (0)
Editorial foreword (1992) (0)
RELATIONSHIP BETWEEN MODIFIED ZAGREB INDICES AND REFORMULATED MODIFIED ZAGREB INDICES WITH RESPECT TO TREES (2018) (0)
Editorial foreword (1992) (0)
Professor Božo Težak, the Torchbearer of Science; Đurđica Težak, Editor (2008) (0)
Less-known Croatian Chemists. I. Professor Božidar Rogina (2007) (0)
Molecular topology in excited states (1986) (0)
The Adjacency Matrix and Related Matrices (2015) (0)
MINDO/2 calculations of nuclear quadrupole coupling constants of the chlorobenzenes (1971) (0)
On the Complexity of Square-CeH Configurations * (2017) (0)
Composition as a Method for Data Reduction: Application to 13C NMR Chemical Shifts (1988) (0)
On the Carbon Cage Molecule C60 (1987) (0)
On coding and ordering benzenoids and their Kekulé structures by using Kekulé index and some related codes (2013) (0)
Chemistry the Central Science (1999) (0)
On a system of equations related to bicentric polygons (2008) (0)
APPLICATION OF THE INDO‐MO METHOD TO THE CALCULATION OF HYPERFINE COUPLING CONSTANTS OF SULPHUR‐CONTAINING RADICALS PART 1, THIOPHEN RADICALS (1974) (0)
Theoretical Study of Furotropones (1971) (0)
ORIGIN OF LIFE : EARTH OR OUTER SPACE? (1998) (0)
Atomic Walk Counts of Negative Order. (2003) (0)
Graph Spectral Theory of Conjugated Molecules * (2018) (0)
Aromaticity in polycyclic annulenes (1969) (0)
Equivalent Orbitals of NH , NH 2 and NH 3 (2018) (0)
Extremal Graphs with Respect to Harary Index (2015) (0)
Tomorrow’s Chemistry Today; Bruno Pignataro, Editor (2008) (0)
MILUTIN CIHLAR NEHAJEV – HRVATSKI KNJIŽEVNIK I KEMIČAR (2006) (0)
Molecular Orbital Calculations for the Three Isomeric (0)
Popis znanstvenih radova akademika Dionisa Emerika Sunka (2014) (0)
Mathematical Modelling of DNA Replication in UV-Irradiated Bacteria (2010) (0)
Certain calsses of polygons in R^2 and areas of polygons (2009) (0)
Theoretical Study of the 5,6-Benzoflavylium Chromophore. (1995) (0)
Croatian's chemistry in XIX. century (2009) (0)
Dragutin Fleš (1921–2005) (2005) (0)
Advances in Mathematical Chemistry and Applications Volume 1 (Revised Edition) (2015) (0)

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