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3404 Medicinal And Biomolecular Chemistry

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3407 Theoretical And Computational Chemistry

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3404 Medicinal And Biomolecular Chemistry

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3407 Theoretical And Computational Chemistry

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3407 Theoretical And Computational Chemistry

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0202 Atomic, Molecular, Nuclear, Particle And Plasma Physics

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3404 Medicinal And Biomolecular Chemistry

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3407 Theoretical And Computational Chemistry

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5102 Atomic, Molecular And Optical Physics

# keywords[]
3404 Medicinal And Biomolecular Chemistry

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3407 Theoretical And Computational Chemistry

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3407 Theoretical And Computational Chemistry

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0306 Physical Chemistry (incl. Structural)

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5102 Atomic, Molecular And Optical Physics

# keywords[]
3404 Medicinal And Biomolecular Chemistry

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3407 Theoretical And Computational Chemistry

# keywords[]
5102 Atomic, Molecular And Optical Physics

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0202 Atomic, Molecular, Nuclear, Particle And Plasma Physics

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Aqueous Solution Of Ionic Liquid And Licl

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0303 Macromolecular And Materials Chemistry

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3407 Theoretical And Computational Chemistry

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3407 Theoretical And Computational Chemistry

# keywords[]
3407 Theoretical And Computational Chemistry

# keywords[]
3404 Medicinal And Biomolecular Chemistry

# keywords[]
3407 Theoretical And Computational Chemistry

# keywords[]
3404 Medicinal And Biomolecular Chemistry

# keywords[]
3407 Theoretical And Computational Chemistry

# keywords[]
3403 Macromolecular And Materials Chemistry

# keywords[]
3404 Medicinal And Biomolecular Chemistry

# keywords[]
3407 Theoretical And Computational Chemistry

# keywords[]
3407 Theoretical And Computational Chemistry

# keywords[]
3407 Theoretical And Computational Chemistry

# keywords[]
3404 Medicinal And Biomolecular Chemistry

# keywords[]
5102 Atomic, Molecular And Optical Physics

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3407 Theoretical And Computational Chemistry

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3407 Theoretical And Computational Chemistry

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1.1 Normal Biological Development And Functioning

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3407 Theoretical And Computational Chemistry

# keywords[]
3404 Medicinal And Biomolecular Chemistry

# keywords[]
3407 Theoretical And Computational Chemistry

# keywords[]
0303 Macromolecular And Materials Chemistry

# keywords[]
3407 Theoretical And Computational Chemistry

# keywords[]
3407 Theoretical And Computational Chemistry

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3407 Theoretical And Computational Chemistry

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Networking And Information Technology R&d

# keywords[]
3404 Medicinal And Biomolecular Chemistry

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Electronic Structure For Conjugated Carbon Nanostructures

# keywords[]
0303 Macromolecular And Materials Chemistry

# keywords[]
Octanol/water Partition Coefficient (log K-ow)

# publications[].label
Exact enumeration of long-range-ordered dimer coverings on the square-planar lattice.

# publications[].label
Mean-field resonance-theoretic view of benzenoid networks

# publications[].label
Mean Wiener numbers and other mean extensions for alkane trees.

# publications[].label
VALENCE BOND THEORY FOR CONJUGATED HYDROCARBONS

# publications[].label
Ground-State Spin of Hubbard Ladder Model with Infinite Electron Repulsion

# publications[].publisher
Institute of Physics, Polish Academy of Sciences

# publications[].label
On the Wiener number of thorn trees, stars, rings, and rods

# publications[].label
Spin-Density Localization in Graphene at Boundaries and at Vacancy Defects

# publications[].label
ICOSAHEDRAL SYMMETRY CARBON CAGE MOLECULES

# publications[].label
Generalizations of the Stone-Wales rearrangement for cage compounds, including fullerenes

# publications[].label
FIBONACCI NUMBERS IN THE TOPOLOGICAL THEORY OF BENZENOID HYDROCARBONS AND RELATED GRAPHS

# publications[].label
SEMIEMPIRICAL VALENCE BOND VIEWS FOR BENZENOID HYDROCARBONS

# publications[].label
Graph invertibility and median eigenvalues

# publications[].label
EXTENDED PI-NETWORKS WITH MULTIPLE SPIN-PAIRING PHASES - RESONANCE-THEORY CALCULATIONS ON POLY-POLYPHENANTHRENES

# publications[].label
Isomer combinatorics for acyclic conjugated polyenes: enumeration and beyond

# publications[].label
COMPACT SELF-AVOIDING CIRCUITS ON TWO-DIMENSIONAL LATTICES

# publications[].label
Mean-field resonating-valence-bond theory for unpaired π-electrons in benzenoid carbon species

# publications[].label
Regular affine tilings and regular maps on a flat torus

# publications[].label
THE POLY-POLYACENE FAMILY OF MULTI-PHASE PI-NETWORK POLYMERS IN A VALENCE-BOND PICTURE

# publications[].label
AROMATICITY VIA KEKULE STRUCTURES AND CONJUGATED CIRCUITS

# publications[].label
CHEMICAL GRAPH-THEORETIC CLUSTER EXPANSIONS - DIAMAGNETIC SUSCEPTIBILITY

# publications[].label
Covalent excitations of a polyphene polymer via A Herndon-Simpson model

# publications[].label
Neel Temperature of Antiferromagnets for Phase Transitions Driven by Spin-wave Interactions

# publications[].label
SYMMETRICAL-GROUP ALGEBRAIC VARIATIONAL SOLUTIONS FOR HEISENBERG MODELS AT FINITE TEMPERATURE

# publications[].label
Permutational isomers on a molecular skeleton with neighbor-excluding ligands

# publications[].label
Does science also prefer a ternary pattern?

# publications[].label
What Is the Limit of Atom Encapsulation for Icosahedral Carboranes?

# publications[].label
Chemical combinatorics for alkane-isomer enumeration and more

# publications[].label
A Note on the Kirchhoff and Additive Degree-Kirchhoff Indices of Graphs

# publications[].label
FAVORABLE STRUCTURES FOR HIGHER FULLERENES - REPLY

# publications[].label
ABINITIO VALENCE BOND CLUSTER-EXPANSION FOR AN ALTERNATING INFINITE CHAIN OF HYDROGEN-ATOMS

# publications[].label
ON THE DEFINITION OF THE HYPER-WIENER INDEX FOR CYCLE-CONTAINING STRUCTURES

# publications[].label
Minimally kekulenoid pi-networks and reactivity for acyclics

# publications[].label
TREEDIAGONAL MATRICES AND THEIR INVERSES

# publications[].label
EXCLUDED VOLUME EFFECTS FOR BRANCHED POLYMERS - MONTE-CARLO RESULTS

# publications[].label
Similarity Relations and Critical Constants of Heavy Fluid Alkali Metals

# publications[].label
On the effect of radical character, substitution and atom encapsulation on the volume of icosahedral (car)boranes

# publications[].label
Phase-transition regularities in critical constants, fusion temperatures and enthalpies of chemically similar chainlike structures.

# publications[].label
Energies for Cyclic and Acyclic Aggregations of Adamantane Sharing Six-membered Rings

# publications[].label
Reaction graphs for rearrangements of pentagonal-bipyramidal complexes

# publications[].label
SYMMETRY OF INFINITE TUBULAR POLYMERS - APPLICATION TO BUCKYTUBES

# publications[].label
Permutational isomers on a molecular skeleton with neighbor-excluding ligands

# publications[].label
PAULING-WHELAND RESONANCE THEORY OF BENZENOID HYDROCARBONS

# publications[].label
BN ALTERNANTS - BORON-NITRIDE CAGES AND POLYMERS

# publications[].label
Fingerprints of antiaromaticity in the negative ion (Li3Al4)(-) via an ab initio quantum-chemical study of the equilibrium structure of the inhomogeneous electron liquid

# publications[].label
A high-spin organic diradical as a spin filter.

# publications[].label
A Comparisonon Metric Dimension of Graphs, Line Graphs, and Line Graphs of the Subdivision Graphs

# publications[].label
The wavefunction when antiparallel spin electrons coincide and its relation to the ground-state electron density in the Hookean atom

# publications[].label
AROMATICITY, KEKULE STRUCTURES, AND CONJUGATED CIRCUITS

# publications[].label
Staggered Benzenoid Pairs as Potential Spin Coupling Systems

# publications[].label
Dependence of the pi-electron eigenvalue sum on the number of atoms in almost spherical C cages

# publications[].label
ON SOME SOLVED AND UNSOLVED PROBLEMS OF CHEMICAL GRAPH-THEORY

# publications[].label
SUBGRAPH GENERATING-FUNCTIONS IN CHEMISTRY - AN EXAMPLE FOR PERFECT MATCHINGS ON HONEYCOMB FRAGMENTS

# publications[].label
Hidden duality and accidental degeneracy in cycloacene and Möbius cycloacene

# publications[].label
Sublattice magnetizations in non-zero magnetic field in an antiferromagnetic infinite-range Ising model

# publications[].label
Protection of Lexicographic Product Graphs

# publications[].label
TRANSFER-MATRIX METHOD FOR SUBGRAPH ENUMERATION - APPLICATIONS TO POLYPYRENE FUSENES

# publications[].label
RIGOROUS RESULTS FOR BRANCHED POLYMER MODELS WITH EXCLUDED VOLUME

# publications[].label
Resistance distance-based graph invariants of subdivisions and triangulations of graphs

# publications[].label
A recursion formula for resistance distances and its applications

# publications[].label
Design of carborane molecular architectures with electronic structure computations: From endohedral and polyradical systems to multidimensional networks

# publications[].label
FAVORABLE STRUCTURES FOR HIGHER FULLERENES

# publications[].label
Boron B-12 cluster embedded in graphitic fragments

# publications[].label
Directed self-avoiding walks in random media.

# publications[].label
Energies for Cyclic and Acyclic Aggregations of Adamantane and Diamantane Units Sharing Vertices, Edges, or Six-Membered Rings

# publications[].label
An extended Heisenberg model for conjugated hydrocarbons

# publications[].label
Parameter-free structure-property correlation via progressive reaction posets for substituted benzenes.

# publications[].label
THE POLY-POLYPHENANTHRENE FAMILY OF MULTI-PHASE PI-NETWORK POLYMERS IN A VALENCE-BOND PICTURE

# publications[].label
Quantitative structure-retention relationships for gas chromatographic retention indices of alkylbenzenes with molecular graph descriptors.

# publications[].label
Formula periodic table for acyclic hydrocarbon isomer classes: combinatorially averaged graph invariants

# publications[].label
Bose-Einstein condensation of magnons in ferromagnetic thin films

# publications[].label
NOVEL ABINITIO CORRELATED CALCULATIONS FOR AN INFINITE CHAIN OF HYDROGEN-ATOMS

# publications[].label
Quasilocal defects in regular planar networks: Categorization for molecular cones

# publications[].label
Valence-bond treatment of distortions in polyacene polymers.

# publications[].label
Optimized geometry of the cluster Gd2O3 and proposed antiferromagnetic alignment of f-electron magnetic moment.

# publications[].label
ON THE CLASSIFICATION OF POLYHEX POLYMERS

# publications[].label
SELF-INTERACTING SELF-AVOIDING WALKS ON THE SIERPINSKI GASKET

# publications[].label
PREFERABLE FULLERENES AND CLAR-SEXTET CAGES

# publications[].label
Characteristic Polynomial Followed by Trigonometric Identity for Obtaining Analytical Eigenspectra of Some Weighted Graphs of Linear Chains and Cycles

# publications[].label
Heisenberg model for the square-planar lattice and fragments.

# publications[].label
Mathematical Chemistry! Is It? And if so, What Is It?

# publications[].label
Long-Range Order for Spin Pairing in Valence Bond Theory

# publications[].label
Symmetry aspects of nonrigid molecules and transition structures in chemical reactions

# publications[].label
Form of spinless first- and second-order density matrices in atoms and molecules, derived from Eigen functions of S-2 and S-z

# publications[].label
On the super domination number of graphs

# publications[].label
Geometric boundary effects on the electronic properties of finite carbon nanotubes

# publications[].label
MOLECULAR CYCLICITY AND CENTRICITY OF POLYCYCLIC GRAPHS .1. CYCLICITY BASED ON RESISTANCE DISTANCES OR RECIPROCAL DISTANCES

# publications[].label
Diborane Concatenation Leads to New Planar Boron Chemistry.

# publications[].label
GRAPHITIC POLYMER STRIPS WITH EDGE STATES

# publications[].label
Perfect pairing, natural orbitals and relation between first- and second-order density matrices

# publications[].label
Aqueous solutions of a "green" ionic liquid and of lithium chloride compared and contrasted

# publications[].label
Resonating valence-bond theories for carbon -networks and classical/quantum connections

# publications[].label
Molecular electric conductance and long-bond structure counting for conjugated-carbon nano-structures

# publications[].label
Self-similar self-avoiding structures: Models for polymers.

# publications[].publisher
Proceedings of the National Academy of Sciences

# publications[].label
Molecules-in-molecule estimation of the extent of localization of Kekulan substructures in polycyclic aromatic hydrocarbons.

# publications[].label
Modelling X-ray scattering factors from fluids of some fluorinated molecules and related compounds

# publications[].label
A quantum-chemical study of boro-fullerenes B60H60, B60F30H30, and B60F60

# publications[].label
Lowest energy states of Hubbard ladder model with infinite electron repulsion

# publications[].label
Local interconversions between graphite and diamond structures

# publications[].label
Predicting densities of nitrocubanes using partial orders

# publications[].label
RESONATING VALENCE-BOND THEORY FOR POLYENES AND POLYACETYLENE

# publications[].label
Intrinsic graph distances compared to euclidean distances for correspondent graph embedding

# publications[].label
CYCLIC NUCLEOTIDE SEQUENCES CODONICALLY INVARIANT UNDER FRAME SHIFTING

# publications[].label
Graphitic edges and unpaired pi-electron spins

# publications[].label
Scaled posets and dissimilarity measures in chemistry.

# publications[].label
Relation of surface tension to compressibility at room temperature and wetting index also involving viscosity for 22 organic liquids

# publications[].label
On the generation of mean Wiener numbers of thorny graphs

# publications[].label
THE BAND-GAP OF ALTERNANT-1D PI-ELECTRON SYSTEMS

# publications[].label
An infinite family of graphs with a facile count of perfect matchings

# publications[].label
Melting points and other properties of ionic liquids, with emphasis on the pressure dependence

# publications[].label
Is chemistry 'The Central Science'? How are different sciences related? Co-citations, reductionism, emergence, and posets

# publications[].label
Semilempirical valence-bond resonance energies for alternant conjugated hydrocarbons containing four-membered rings

# publications[].label
Kekulénoid Addition Patterns for Fullerenes and Some Lower Homologs

# publications[].label
METHODS OF ENUMERATING KEKULE STRUCTURES, EXEMPLIFIED BY APPLICATIONS TO RECTANGLE-SHAPED BENZENOIDS

# publications[].label
A NOTE ON A VARIANT OF THE LEAPFROG TRANSFORMATION OF CHEMICAL GRAPHS

# publications[].label
Alternant boron nitride cages: A theoretical study

# publications[].label
Graph cyclicity, excess conductance, and resistance deficit

# publications[].label
Spin-Free Quantum Electronic Structure: Its Second Quantization and Para-Fermionics

# publications[].label
Building-block computation of Wiener-type indices for the virtual screening of combinatorial libraries

# publications[].label
BENZENOIDS WITH MAXIMUM KEKULE STRUCTURE COUNTS FOR GIVEN NUMBERS OF HEXAGONS

# publications[].label
THE CONJUGATED-CIRCUIT MODEL - APPLICATION TO BENZENOID HYDROCARBONS

# publications[].label
Resonance in large benzenoid hydrocarbons

# publications[].label
Quantum-mechanical model relating negative-ion polarizabilities in free space and in an ionic crystal

# publications[].label
Covalently-Bonded “Onion Type” Double Fullerenic Carbon Cages

# publications[].label
Unpaired pi-spin density in defected graphite

# publications[].label
Regularities in melting points of lithium halides: Is LiH anomalous?

# publications[].label
ANALYTICAL APPROACH TO VERY LARGE BENZENOID POLYMERS

# publications[].label
Advances in many-body valence-bond theory

# publications[].label
The eight classes of positive-curvature graphitic nanocones.

# publications[].label
The role of disclinations in two phase changes induced by temperature and pressure in crystalline solids: Melting and the brittle-ductile transition

# publications[].label
Intramolecular ferromagnetic coupling in bis-oxoverdazyl and bis-thioxoverdazyl diradicals with polyacene spacers

# publications[].label
PASCAL RECURRENCE ALGORITHM FOR KEKULE-STRUCTURE COUNTS OF BENZENOID AND CORONOID HYDROCARBONS

# publications[].label
REAL-SPACE RENORMALIZATION FOR HEISENBERG MODELS ON 2-DIMENSIONAL LATTICES

# publications[].label
GROUND-STATE FEATURES FOR HEISENBERG MODELS

# publications[].label
A theorem for counting spanning trees in general chemical graphs and its particular application to toroidal fullerenes

# publications[].label
Is the brittle–ductile transition preceding melting related to 5- and 7-membered ring defects in graphite?

# publications[].label
Spin-Peierls vs Peierls distortions in a family of conjugated polymers

# publications[].label
Scaling behavior of ground-state energy cluster expansion for linear polyenes

# publications[].label
DFT study of topology and energy of local defects in large graphitic hydrocarbon molecules

# publications[].label
Comparison theorems on resistance distances and Kirchhoff indices of S, T-isomers

# publications[].label
Molecular Conductance in Relation to Inverse Transport Theory and to Chemical Bond Order

# publications[].label
Network-QSAR with Reaction Poset Quantitative Superstructure-Activity Relationships (QSSAR) for PCB Chromatographic Properties

# publications[].label
Fractal network dimension determining the relation between the strength of bulk metallic glasses and the glass transition temperature

# publications[].label
What Electronic Structures and Geometries of Carborane Mono- and ortho-, meta-, and para-Diradicals are Preferred?

# publications[].label
Sin clusters: Surface energy considerations for large n and allelectron HartreeFock calculations for n=45

# publications[].label
VARIATIONAL LOCALIZED-SITE CLUSTER EXPANSIONS .11. COHERENT STATE DERIVATION OF EFFECTIVE HEISENBERG HAMILTONIANS

# publications[].label
HOMO-LUMO gaps for sub-graphenic and sub-buckytubic species

# publications[].label
Modeling the bioconcentration factors and bioaccumulation factors of polychlorinated biphenyls with posetic quantitative super-structure/activity relationships (QSSAR).

# publications[].label
Thomas-Fermi theory of an inhomogeneous electron liquid generalized to incorporate density gradients

# publications[].label
ON THE QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP IN DRUG RESEARCH

# publications[].label
Validity of t-J approximation for extended Hubbard model with strong repulsion

# publications[].label
PROCEEDINGS OF THE FIRST CROATIAN MEETING ON FULLERENES, ROVINJ, CROATIA, JUNE 21-25, 1993 - FOREWORD

# publications[].label
Co-authorship, rational Erdos numbers, and resistance distances in graphs

# publications[].label
Finite Size Effects in Anisotropic u = a Hubbard Ladder Rings

# publications[].label
Carbon-20 isomers studied by ab initio SCF, DFT, and semiempirical methods

# publications[].label
Characterization of distribution of pi-electrons amongst benzenoid rings for Randic's "algebraic" Kekule structures

# publications[].label
Wiener index extension by counting even/odd graph distances.

# publications[].label
Alternant boron nitride cages: A theoretical study

# publications[].label
On the effect of charge and spin in He(q)@XnZ12−nH12( n−2) molecules, with X = {C, Si}, Z = {B, Al} and q = {0, + 1, + 2}, n = {0, 1}

# publications[].label
INTERACTING DIMERS ON A SIERPINSKI GASKET

# publications[].label
Partitioning of Wiener-type indices, especially for trees

# publications[].label
Graphic invariants for fullerenes (vol 35, pg 396, 1995)

# publications[].label
GROUND-STATE OF THE ANTI-FERROMAGNETIC HEISENBERG CHAIN WITH NEAREST-NEIGHBOR AND NEXT-NEAREST-NEIGHBOR INTERACTIONS

# publications[].label
Inter-relations between VB & MO theories for organic II-networks

# publications[].label
Special Issue: In Honor of Professor Ilya Kaplan Introduction

# publications[].label
OVERVIEW OF HUCKEL-THEORETIC AND RESONANCE-THEORETIC APPROACHES TO PI-NETWORK POLYMERS

# publications[].label
Inhomogeneous electron liquid: Differential equation satisfied by diagonal element of Coulomb bound s-state green function

# publications[].label
RELATION BETWEEN THE WIENER INDEX AND THE SCHULTZ INDEX FOR SEVERAL CLASSES OF CHEMICAL GRAPHS

# publications[].label
Formula periodic table for the isomer classes of acyclic hydrocarbons - Enumerative and asymptotic characteristics

# publications[].label
EXACT GROUND-STATES FOR A CLASS OF ANTI-FERROMAGNETIC HEISENBERG MODELS WITH SHORT-RANGE INTERACTIONS

# publications[].label
Partially ordered sets: ranking and prediction of substances' properties.

# publications[].label
Chemical sub-structural cluster expansions for molecular properties.

# publications[].label
Flow network QSAR for the prediction of physicochemical properties by mapping an electrical resistance network onto a chemical reaction poset.

# publications[].label
New Nordhaus-Gaddum-type results for the Kirchhoff index

# publications[].label
PHYS 571-Linear polyamantanes: An ab initio and DFT quantum chemical study of bulk properties

# publications[].label
Pascal recurrence algorithm for Kekul-structure counts of benzenoid and coronoid hydrocarbons

# publications[].label
Large "pillow" fullerenes hydrogenated at the inter-sheet "seam"

# publications[].label
IMPLICATIONS OF SENSE/ANTISENSE NUCLEIC-ACID CODONS ON AMINO-ACID COUNTS

# publications[].label
Resistance distances in composite graphs

# publications[].label
Critical exponents in D dimensions for the Ising model, subsuming Zhang's proposals for D=3

# publications[].label
Hyper-Wiener vector, Wiener matrix sequence, and Wiener polynomial sequence of a graph

# publications[].label
Photomagnetic and Nonlinear Optical Properties in cis-trans Green Fluoroprotein Chromophore Coupled Bis-Imino Nitroxide Diradicals

# publications[].label
KEKULE COUNT AND ALGEBRAIC STRUCTURE COUNT FOR UNBRANCHED ALTERNANT CATA-FUSENES

# publications[].label
Posetic cluster expansion for substitution-reaction networks and application to methylated cyclobutanes

# publications[].label
Topological isomer generation & enumeration: Application for polyphenacenes

# publications[].label
GRAPHICAL PROPERTIES OF POLYHEXES - PERFECT MATCHING VECTOR AND FORCING

# publications[].label
KEKULE STRUCTURE COUNTS - GENERAL FORMULATIONS FOR PRIMITIVE CORONOID HYDROCARBONS

# publications[].label
Curvature matching and strain relief in bucky-tori: usage of sp3-hybridization and nonhexagonal rings.

# publications[].label
Toward Molecular Magnets of Organic Origin via Anion−π Interaction Involving m‑Aminyl Diradical: A Theoretical Study

# publications[].label
DIMER COVERINGS AND KEKULE STRUCTURES ON HONEYCOMB LATTICE STRIPS

# publications[].label
T-hull relations for shape envelopes of molecular contours

# publications[].label
BIRADICAL SPIN, LIMITED CI, AND HETEROATOMS

# publications[].label
Transport and thermodynamic properties in low melting point ionic liquids related to n-alkyl chain length

# publications[].label
Analytical expressions for the count of LM-conjugated circuits of benzenoid hydrocarbons

# publications[].label
GROUND-STATE REAL-SPACE RENORMALIZATION FOR LINEAR-CHAIN HEISENBERG MODELS WITH ALTERNATION

# publications[].label
Edge confinement of a two-dimensional electron gas and its relevance to the electron density near a vacancy defect in graphite

# publications[].label
RESONANCE ENERGIES OF LARGE CONJUGATED HYDROCARBONS BY A STATISTICAL-METHOD

# publications[].label
W. R. hamilton his genius, his circuits, and the IUPAC nomenclature for fulleranes

# publications[].label
Ground and excited Hubbard states for buckminsterfullerene with uniform and alternating bond strengths

# publications[].label
Design of Carborane Molecular Architectures via Electronic Structure Computations

# publications[].label
Si-n clusters: Surface energy considerations for large n and all-electron Hartree-Fock calculations for n=45

# publications[].label
PROPERTIES OF SOLID HYDROGEN BY A NEW CORRELATED ABINITO METHOD

# publications[].label
COMPARATIVE-STUDY OF LARGE MOLECULES - HIGHLY ACCURATE CALCULATION OF A LIMIT FOR INFINITE SYSTEMS FROM DATA ON FINITE SYSTEMS

# publications[].label
Holes in diamond or carbon nitride lattices

# publications[].label
COMMENT ON AVERAGE KEKULE-STRUCTURE COUNTS FOR RANDOM CONJUGATED COPOLYMERS

# publications[].label
High-pressure behaviour of crystalline silane compared with that for SnH4

# publications[].label
Enumeration of substitutional isomers with restrictive mutual positions of ligands: I. Overall counts

# publications[].label
An extended Heisenberg model for conjugated hydrocarbons. II. Kekule basis

# publications[].label
MOLECULAR TOPOLOGICAL INDEX - A RELATION WITH THE WIENER INDEX

# publications[].label
The number two and the intriguing dualism of nature. scientific curiosity and everyday concepts

# publications[].label
A note on second-order nonlinear optical response of high-spin bis-TEMPO diradicals with possible application

# publications[].label
HEISENBERG-MODEL CLUSTER-EXPANSION FOR HALF-FILLED HUBBARD AND PPP MODELS

# publications[].label
SYMMETRY PROPERTIES OF CHEMICAL GRAPHS .9. THE VALENCE TAUTOMERISM IN THE P7(3-) SKELETON

# publications[].label
Vector representations of kekule structures of benzenoids.

# publications[].label
Quantum phase transitions in frustrated 1D Heisenberg spin systems

# publications[].label
Internal energy and magnetic moment of three-dimensional ferromagnets

# publications[].label
Prolegomenon on partial orderings in chemistry

# publications[].label
WAVE-FUNCTION COMPARISONS FOR THE VALENCE-BOND MODEL FOR CONJUGATED PI-NETWORKS

# publications[].label
A classical valence bond view of cylinder-shaped and fully benzenoid-like polyarenes (polycyclic aromatic hydrocarbons) of large size

# publications[].label
Magnetic properties of model non-carbon nanotubes with macroscopic value of ground state spin

# publications[].label
Computing wiener-type indices for virtual combinatorial libraries generated from heteroatom-containing building blocks.

# publications[].label
COMPUTATIONS FOR THE CONJUGATED CIRCUITS APPROACH

# publications[].label
Variational resonance valence bond study on the ground state of C-60 using the Heisenberg model

# publications[].label
A theoretical study on magnetic properties of bis-TEMPO diradicals with possible application

# publications[].label
Valence bond study of fullerenes using the Heisenberg model

# publications[].label
QUANTUM-MECHANICAL AND COMPUTATIONAL ASPECTS OF THE CONJUGATED-CIRCUIT MODEL

# publications[].label
Vertex-weightings for distance moments and thorny graphs

# publications[].label
Change in electronic structure of polyenes due to interaction with polyacenes and with graphitic strips

# publications[].label
Large "pillow" fullerenes as graphite without dangling bonds

# publications[].label
Resistance-distance matrix: A computational algorithm and its application

# publications[].label
Clar theory extended for polyacenes and beyond.

# publications[].label
Validity of t–J approximation for extended Hubbard model with strong repulsion

# publications[].label
Magnetically ordered materials: relation between internal energy, magnetization and applied field

# publications[].label
All acyclic hydrocarbons: formula periodic table and property overlap plots via chemical combinatorics

# publications[].label
Abinitio study of the convergence of cluster expansion parameters for acyclic conjugated hydrocarbons.

# publications[].label
Analytical eigenspectra of alternant edge-weighted graphs of linear chains and cycles: some applications

# publications[].label
Enumeration of substitutional isomers with restrictive mutual positions of ligands. II. Counts with restrictions on (sub)symmetry

# publications[].label
Modelling the structure of the water molecule under both local environmental constraints and explosive conditions

# publications[].label
A Relation Between Moore-Penrose Inverses of Hermitian Matrices and Its Application in Electrical Networks

# publications[].label
REVERSED INVERSE SUPERATOMS (DOUBLE FULLERENE-TYPE SYSTEMS)

# publications[].label
Two-point resistances and random walks on stellated regular graphs

# publications[].label
Forcing, Freedom, & Uniqueness in Graph Theory & Chemistry

# publications[].label
Prediction of environmental properties for chlorophenols with posetic quantitative super-structure/property relationships (QSSPR)

# publications[].label
The Degree-Product Index of Narumi and Katayama

# publications[].label
EXACT GROUND-STATE FOR A HERNDON-SIMPSON MODEL VIA RESONANCE THEORETIC CLUSTER-EXPANSION

# publications[].label
Spin-polarized electron (hole) liquids: are π-electrons in metal–benzene sandwiches or injected carriers in C-doped BN nanotube candidates?

# publications[].label
HAMILTON,W.R. - HIS GENIUS, HIS CIRCUITS, AND THE IUPAC NOMENCLATURE FOR FULLERANES

# publications[].label
DIMENSIONS OF BRANCHED POLYMERS WITH EXCLUDED VOLUME

# publications[].label
Molecular magnetism via resonating valence bonds for conjugated radicals and selected transition metal complexes