Jerzy Cioslowski
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Chemistry
Jerzy Cioslowski's Degrees
- PhD Chemistry University of Warsaw
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(Suggest an Edit or Addition)Jerzy Cioslowski'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
- A new population analysis based on atomic polar tensors (1989) (544)
- Covalent bond orders in the topological theory of atoms in molecules (1991) (257)
- Endohedral complexes: Atoms and ions inside the C60 cage (1991) (241)
- Quantum-mechanical prediction of thermochemical data (2002) (191)
- Electronic Structure Calculations on Fullerenes and Their Derivatives (1995) (168)
- Endohedral chemistry: electronic structures of molecules trapped inside the C60 cage (1991) (161)
- Topological properties of electron density in search of steric interactions in molecules : electronic structure calculations on ortho-substituted biphenyls (1992) (156)
- Many-Electron Densities and Reduced Density Matrices (2012) (121)
- Rapid evaluation of atomic properties with mixed analytical/numerical integration (1993) (113)
- The ground state of harmonium (2000) (110)
- An observable-based interpretation of electronic wavefunctions: application to “hypervalent” molecules (1992) (108)
- Universality among topological properties of electron density associated with the hydrogen–hydrogen nonbonding interactions (1992) (103)
- Isopycnic orbital transformations and localization of natural orbitals (1990) (100)
- Properties of aromaticity indices based on the one-electron density matrix. (2007) (93)
- A new robust algorithm for fully automated determination of attractor interaction lines in molecules (1994) (92)
- Standard Enthalpies of Formation of Fullerenes and Their Dependence on Structural Motifs (2000) (84)
- Six questions on topology in theoretical chemistry (2015) (81)
- Substituent effects. 4. Nature of substituent effects at carbonyl groups (1992) (80)
- A set of standard enthalpies of formation for benchmarking, calibration, and parametrization of electronic structure methods (2000) (79)
- Weak bonds in the topological theory of atoms in molecules (1991) (75)
- Electronic structures and energetics of [5,5] and [9,0] single-walled carbon nanotubes. (2002) (71)
- Assessing molecular similarity from results of ab initio electronic structure calculations (1991) (71)
- Nine questions on energy decomposition analysis (2019) (70)
- Constraints upon natural spin orbital functionals imposed by properties of a homogeneous electron gas (1999) (68)
- An efficient evaluation of atomic properties using a vectorized numerical integration with dynamic thresholding (1992) (68)
- Electron flow and electronegativity equalization in the process of bond formation (1993) (68)
- Variational determination of the zero-flux surfaces of atoms in molecules (1995) (66)
- Rigorous interpretation of electronic wave functions. 2. Electronic structures of selected phosphorus, sulfur, and chlorine fluorides and oxides (1993) (64)
- Ionization potentials and electron affinities from the extended Koopmans’ theorem applied to energy-derivative density matrices: The EKTMPn and EKTQCISD methods (1997) (62)
- Nonnuclear attractors in the lithium dimeric molecule (1990) (61)
- ENERGETICS AND SITE SPECIFICITY OF THE HOMOLYTIC C-H BOND CLEAVAGE IN BENZENOID HYDROCARBONS : AN AB INITIO ELECTRONIC STRUCTURE STUDY (1996) (60)
- Steric Overcrowding in Perhalogenated Cyclohexanes, Dodecahedranes, and [60]Fulleranes (1995) (58)
- Endohedral chemical shifts in higher fullerenes with 72–86 carbon atoms (2001) (54)
- Badger's rule revisited (2000) (51)
- Ionization potentials from the extended Koopmans’ theorem applied to density matrix functional theory (2005) (46)
- Electronic structures of trifluoro-, tricyano-, and trinitromethane and their conjugate bases (1991) (43)
- Similarity of atoms in molecules (1993) (43)
- Electronegativities in situ, bond hardnesses, and charge-transfer components of bond energies from the topological theory of atoms in molecules (1993) (41)
- Systematic construction of approximate one-matrix functionals for the electron-electron repulsion energy (2002) (41)
- Atomic Fukui indices from the topological theory of atoms in molecules applied to Hartree-Fock and correlated electron densities (1993) (39)
- Quantifying the Hammond postulate : intramolecular proton transfer in substituted hydrogen catecholate anions (1991) (39)
- Is Superbenzene Superaromatic (1991) (38)
- On the exactness of simple natural spin-orbital functionals for a high-density homogeneous electron gas (2001) (38)
- Ab initio quantum-mechanical and experimental mechanistic studies of Diels-Alder reactions between unsubstituted and phenyl-substituted acetylenes and 1,2,4,5-tetrazines (1993) (37)
- Electron intracule densities and Coulomb holes from energy-derivative two-electron reduced density matrices (1998) (37)
- One‐electron density matrices and energy gradients in second‐order electron propagator theory (1992) (36)
- Charge distributions and effective atomic charges in transition-metal complexes using generalized atomic polar tensors and topological analysis (1990) (35)
- Endohedral effect in inclusion complexes of the C60 cluster (1992) (35)
- Partitioning of the orbital overlap matrix and the localization criteria (1991) (33)
- Computationally Inexpensive Theoretical Thermochemistry (1998) (33)
- Electron intracule densities with correct electron coalescence cusps from Hiller–Sucher–Feinberg‐type identities (1995) (32)
- Approximate one-matrix functionals for the electron–electron repulsion energy from geminal theories (2003) (31)
- Topology of electron–electron interactions in atoms and molecules. I. The Hartree–Fock approximation (1996) (30)
- Conformations and Thermodynamic Properties of Sulfur Homocycles. 1. The S5, S6, S7, and S8 Molecules (2001) (30)
- Electronic structure of borabenzene and its adducts with carbon monoxide and nitrogen (1990) (30)
- Phase dilemma in density matrix functional theory. (2004) (29)
- Wigner molecules: the strong-correlation limit of the three-electron harmonium. (2006) (29)
- Description of a homogeneous electron gas with simple functionals of the one-particle density matrix (2000) (29)
- Density matrix functional theory of weak intermolecular interactions (2002) (29)
- Response properties and stability conditions in density matrix functional theory (2001) (28)
- Electrostatic potential, polarization, shielding, and charge transfer in endohedral complexes of the C60, C70, C76, C78, C82, and C84 clusters (1993) (28)
- Topology of electron-electron interactions in atoms and molecules. II. The correlation cage (1999) (27)
- Properties of harmonium atoms from FCI calculations: Calibration and benchmarks for the ground state of the two-electron species. (2010) (27)
- The three-electron harmonium atom: the lowest-energy doublet and quadruplet states. (2012) (27)
- Benchmark calculations on the lowest-energy singlet, triplet, and quintet states of the four-electron harmonium atom. (2014) (27)
- Thermochemistry of Homolytic C−C, C−H, and C−Cl Bond Dissociations in Polychloroethanes: Benchmark Electronic Structure Calculations (1997) (27)
- The Role of Ate Complexes in Halogen(Metalloid)–Metal Exchange Reactions: A Theoretical Study (1998) (26)
- Additive nodal increments for approximate calculation of the total π-electron energy of benzenoid hydrocarbons (1985) (26)
- Off-diagonal derivative discontinuities in the reduced density matrices of electronic systems. (2020) (26)
- Robust validation of approximate 1-matrix functionals with few-electron harmonium atoms. (2015) (25)
- Electronic structures, geometries, and energetics of highly charged cations of the C60 fullerene (1996) (25)
- Upper Bound for Total π-Electron Energy of Benzenoid Hydrocarbons (1985) (25)
- Endohedral magnetic shielding in fullerenes. A GIAO CPHF study (1994) (24)
- Graph theoretical approach to the topological spin Hamiltonian applied to conjugated molecules (1987) (24)
- The atomic softness matrix (1994) (24)
- Density driven self‐consistent field method. I. Derivation and basic properties (1988) (24)
- Application of the GAPT population analysis to some organic molecules and transition structures (1990) (24)
- Electronic structures of the icosahedral C60H60 and C60F60 molecules (1991) (24)
- Approximate one-electron density matrix functionals for the electron–electron repulsion energy from the hypervirial theorem (1998) (23)
- Variational density matrix functional theory calculations with the lowest-order Yasuda functional (2002) (23)
- Molecular similarity indices in electron propagator theory (1991) (23)
- Description of a high-density homogeneous electron gas with the Yasuda density matrix functional (2001) (22)
- Strong-correlation limit of four electrons in an isotropic harmonic trap (2008) (22)
- Harmonium atoms at weak confinements: The formation of the Wigner molecules. (2017) (22)
- Efficient algorithm for quantitative assessment of similarities among atoms in molecules (1996) (22)
- Transferability of energies of atoms in organic molecules (2003) (22)
- Rigorous interpretation of electronic wavefunctions. IV. Origins of the unusual stability of the 1,3‐dimethylimidazol‐2‐ylidene carbene (1993) (22)
- A unified theory of the stability of benzenoid hydrocarbons (1987) (21)
- Parameter-free shell model of spherical Coulomb crystals. (2008) (21)
- Cumulant Expansions of Reduced Densities, Reduced Density Matrices, and Green’s Functions (2000) (21)
- Three electrons in a harmonic oscillator potential: Pairs versus single particles (2003) (21)
- FAST EVALUATION OF ELECTRON INTRACULE AND EXTRACULE DENSITIES ON LARGE GRIDS OF POINTS (1996) (21)
- Heats of formation of higher fullerenes from ab initio Hartree—Fock and correlation energy functional calculations (1993) (21)
- Electronic Structure Studies of 1,2-Didehydrogenation of Arenes and Rearrangement of Arynes to Annelated Cyclopentadienylidenecarbenes (1998) (21)
- On extracting the bulk properties from results of small cluster calculations (1988) (21)
- Bulk properties from finite‐cluster calculations. VI. A finite‐size perturbation theory for the Hartree–Fock energy of linear oligomers (1991) (20)
- Accurate analytical representations of the core-electron densities of the elements 3 through 118 (1997) (20)
- Robust interpolation between weak- and strong-correlation regimes of quantum systems. (2012) (20)
- Bulk properties from finite cluster calculations. VIII. Benchmark calculations of the efficiency of extrapolation methods for the HF and MP2 energies of polyacenes (1993) (20)
- New constraints upon the electron-electron repulsion energy functional of the one-electron reduced density matrix. (2005) (20)
- Maximum similarity orbitals for analysis of the electronic excited states (1991) (20)
- Energetics of the Homolytic C-H and C-Cl Bond Cleavages in Polychlorobenzenes: The Role of Electronic and Steric Effects (1997) (19)
- On the validity of the extended Koopmans’ theorem (2001) (19)
- Connected moments expansion calculations of the correlation energy in small molecules (1987) (18)
- An irregular dependence of the total electronic energy of clusters on their size (1986) (18)
- Bulk properties from finite‐cluster calculations. VII. Accurate ab initio calculations on the Peierls distortions in polyacene (1993) (18)
- Wigner molecules: natural orbitals of strongly correlated two-electron harmonium. (2006) (18)
- Decomposition of the total π-electron energy of polycyclic hydrocarbons into benzene ring increments (1985) (17)
- Density matrix functional theory of four-electron systems (2003) (17)
- Efficient implementation of the Hiller–Sucher–Feinberg identity for the accurate determination of the electron density (1994) (17)
- GUEST DISCRIMINATION IN COMPLEXES OF ALKALI METAL CATIONS WITH THE C36H36 SPHERIPHANE : AN AB INITIO ELECTRONIC STRUCTURE STUDY (1995) (17)
- The concerted trimerization of ethyne to benzene revisited (2000) (17)
- Benchmark Full Configuration Interaction Calculations on the Lowest-Energy (2)P and (4)P States of the Three-Electron Harmonium Atom. (2011) (16)
- Thermal Rearrangement of Ethynylarenes to Cyclopentafused Polycyclic Aromatic Hydrocarbons: An Electronic Structure Study (1999) (16)
- Enumeration of Benzenoid and Coronoid Hydrocarbons (1987) (16)
- The Hiller-Sucher-Feinberg density is not integrable (1992) (16)
- Unoccupied natural orbitals in two-electron Coulombic systems (2006) (16)
- The weak-correlation limits of few-electron harmonium atoms. (2013) (15)
- The connected moments expansion for the zero-point energy of coupled anharmonic oscillators (1987) (15)
- Bilinear Constraints Upon the Correlation Contribution to the Electron-Electron Repulsion Energy as a Functional of the One-Electron Reduced Density Matrix. (2019) (15)
- Exceptionally low charge trapping enables highly efficient organic bulk heterojunction solar cells (2020) (15)
- Spin–resolved analysis of electronegativity equalization and electron flow in molecules (1995) (14)
- Density Functional Reformulation of Molecular Orbital Theories (1990) (14)
- The One-Electron Reduced Density Matrix Functional Theory of Spin-Polarized Systems. (2020) (14)
- Properties of atoms in molecules from valence-electron densities augmented with core-electron contributions (1996) (14)
- Catastrophes, bifurcations and hysteretic loops in torsional potentials of internal rotations in molecules (1997) (14)
- A study of the connected moments expansions for the correlation energy via an exactly soluble problem (1987) (14)
- Frequency-dependent response properties and excitation energies from one-electron density matrix functionals. (2007) (14)
- Scaling Properties of Topological Invariants (1990) (14)
- Energetics, electronic structures and geometries of didehydroazines (2003) (14)
- Effects of solvation on chemical bonding: An electron‐flow analysis (1995) (13)
- Geometry‐Tunable Lewis Acidity of Amidinium Cations and Its Relevance to Redox Reactions of the Thauer Metal‐Free Hydrogenase: A Theoretical Study (1997) (13)
- Topological hamiltonian spectra of polycyclic benzenoid hydrocarbons (1988) (13)
- Why does the Aitken extrapolation often help to attain convergence in self‐consistent field calculations? (1988) (13)
- A novel compact nomenclature of the condensed benzenoid hydrocarbons (1984) (13)
- The three-dimensional electron gas at the weak-correlation limit: how peculiarities of the momentum distribution and the static structure factor give rise to logarithmic non-analyticities in the kinetic and potential correlation energies (2005) (13)
- Electronegativity Equalization in Polyyne Carbon Chains (1996) (13)
- Bulk properties from finite-cluster calculations (1990) (13)
- Note: The weak-correlation limit of the three-electron harmonium atom. (2011) (13)
- Coordinate transformations of cubic force constants and transferability of anharmonic force constants in internal coordinates (1991) (13)
- Topology of electron–electron interactions in atoms and molecules. III. Morphology of electron intracule density in two 1Σg+ states of the hydrogen molecule (1999) (12)
- Upper Bounds for the Total π-Electron Energy of Benzenoid Hydrocarbons and Their Relations (1986) (12)
- Collective natural orbital occupancies of harmonium. (2005) (12)
- Covalent vs ionic bonding in hexasubstituted Push-Pull ethanes (1991) (12)
- DIVERSITY OF BONDING IN METHYL ATE ANIONS OF THE FIRST- AND SECOND-ROW ELEMENTS (1998) (12)
- The generalized Padé approximants and chemical graph theory (1988) (11)
- Variability of shapes and properties of atoms in molecules: a case study of the carbonyl oxygen (1996) (11)
- Fullerenes patched by flowers (2013) (11)
- Atomic orbitals in molecules (1998) (11)
- Endohedral Magnetic Shielding in the C60 Cluster (1994) (11)
- THERMALLY INDUCED CYCLODEHYDROGENATION OF BIARYLS : A SIMPLE RADICAL REACTION OR A SEQUENCE OF REARRANGEMENTS? (1998) (11)
- Density driven self‐consistent field method. II. construction of all one‐particle wavefunctions that are orthonormal and sum up to a given density (2009) (10)
- Nuclear cusps in the HSF electron density (1994) (10)
- Angular-Momentum Extrapolations to the Complete Basis Set Limit: Why and When They Work. (2021) (10)
- A rigorous energy partitioning scheme for analysis of molecular interactions (1995) (10)
- Universalities among natural orbitals and occupation numbers pertaining to ground states of two electrons in central potentials. (2019) (10)
- Theoretical thermochemistry of homolytic C-C and C-Cl bond dissociations in unbranched perchloroalkanes (1998) (10)
- Size versus volume extensivity of a new class of density matrix functionals. (2004) (10)
- Bulk properties from finite‐cluster calculations. V. Pseudo‐Wannier orbitals from molecular orbital calculations on finite clusters (1990) (10)
- Theoretical thermochemistry of the C60F18, C60F36, and C60F48 fluorofullerenes (2001) (10)
- Differential density matrix overlap: an index for assessment of electron correlation in atoms and molecules (1992) (9)
- Rigorous interpretation of electronic wave functions. 1. Electronic structures of boron trihydride, diborane, boron hydride (B3H7) and triborane (1992) (9)
- Solitonic natural orbitals. (2018) (9)
- Five- and six-electron harmonium atoms: Highly accurate electronic properties and their application to benchmarking of approximate 1-matrix functionals. (2018) (9)
- Regularities in Energies and Geometries of Biaryls: An ab Initio Electronic Structure Study (1996) (9)
- One-electron reduced density matrices of strongly correlated harmonium atoms. (2015) (9)
- The Use of the Gauss-Chebyshev Quadrature in Estimation of the Total π -Electron Energy of Benzenoid Hydrocarbons (1985) (9)
- Electronic structure of the benzene–tetracyanoethylene complex: A synthesis of molecular orbital and density functional descriptions (1994) (9)
- Note on the asymptotic isomer count of large fullerenes (2013) (8)
- A simple algorithm for the calculation of the π ionization energies of substituted benzenes (1986) (8)
- Applicability of the ladder theory to the three-dimensional homogeneous electron gas (2005) (8)
- Nonclassical Aryl Radicals: Intermediates or Transition States for the Hydrogen Shift Reactions? (1996) (8)
- Rigorous interpretation of electronic wave functions. 3. Theoretical confirmation of a three-center, two-electron carbon-hydrogen-carbon bond in the in-bicyclo[4.4.4]tetradecyl cation (1993) (8)
- Asymptotic equivalence of the shell-model and local-density descriptions of Coulombic systems confined by radially symmetric potentials in two and three dimensions. (2013) (8)
- Total π‐electron energy in the “variable β” Hückel method (1988) (8)
- Symmetry handling in calculations of properties of atoms in molecules (1996) (8)
- Theory of response properties of atoms in molecules (1996) (8)
- Coulomb crystals of few particles : Closed-form expressions for equilibrium energies and geometries, and vibrational force constants (2008) (8)
- Partial-wave decomposition of the ground-state wavefunction of the two-electron harmonium atom (2015) (8)
- Computer enumeration of polyhexes using the compact naming approach (1987) (8)
- Partitioning of electronic properties in two‐center, one‐electron coulombic systems (1990) (8)
- Natural orbitals of the ground state of the two-electron harmonium atom (2018) (7)
- Analytical derivatives of atomic zero‐flux surfaces and properties of atoms in molecules with respect to external perturbations (1996) (7)
- A ground state steepest descent perturbation theory (1987) (7)
- Electron correlation contributions to one‐electron properties from functionals of the Hartree–Fock electron density (1993) (7)
- Simple approximants for natural orbitals of harmonium. (2005) (7)
- Shell structures of assemblies of equicharged particles subject to radial power-law confining potentials. (2010) (7)
- A conjecture on benzenoid graphs (1991) (6)
- Construction of explicitly correlated one-electron reduced density matrices. (2020) (6)
- AB INITIO ELECTRONIC STRUCTURE CALCULATIONS ON DODECAHEDRAL CLUSTERS OF TWENTY WATER MOLECULES AND THEIR GAS-PHASE CLATHRATES WITH ALKALI METAL CATIONS (1992) (6)
- Structural dependence of thermodynamic stability of unbranched catacondensed benzenoid hydrocarbons (2003) (6)
- Molecular geometries from spin Hamiltonian calculations through simultaneous optimization of geometry and wave function (1989) (6)
- Single‐excitations‐adapted molecular orbitals for a simplified description of electronic excited states (1991) (6)
- A Theory of Molecules: Atoms In Molecules . A Quantum Theory. Richard F. W. Bader. Clarendon (Oxford University Press), New York, 1990. xviii, 438 pp., illus. $120. International Series of Monographs on Chemistry, 22. (1991) (6)
- Shell model of assemblies of equicharged particles subject to radial confining potentials. (2011) (6)
- Reverse engineering in quantum chemistry: How to reveal the fifth‐order off‐diagonal cusp in the one‐electron reduced density matrix without actually calculating it (2021) (6)
- Natural amplitudes of the ground state of the helium atom: Benchmark calculations and their relevance to the issue of unoccupied natural orbitals in the H2 molecule. (2019) (6)
- Properties of Coulomb crystals: rigorous results. (2008) (6)
- Extrapolation of the total energy of polymers to the bulk limit using generalized padé approximants (1988) (6)
- Modified Thomson problem. (2009) (5)
- Rovibrational states of Wigner molecules in spherically symmetric confining potentials. (2016) (5)
- Electrostatic interaction energies from a generalized Gaussian quadrature (1997) (5)
- Chemisorption on metals: the method of moments point of view (1989) (5)
- Accurate electron densities from the Hiller-Sucher-Feinberg identity applied to constrained wavefunctions (1994) (5)
- Simpler is often better: Computational efficiency of explicitly correlated two-electron basis sets generated by the regularized Krylov sequences of Nakatsuji. (2018) (5)
- Two isomers of the Li2C2O2 molecule : an ab initio study (1990) (5)
- Theoretical Thermochemistry of the 1-Buten-3-yn-1-yl Radical and Its Chloro Derivatives (1999) (5)
- The Coulomb, exchange, and correlation components of the electron-electron repulsion in harmonium atoms. (2015) (5)
- Shell models of two-dimensional Coulomb crystals: assessment and comparison with the three-dimensional case. (2012) (5)
- Quantum-Mechanical Theory of Atoms in Molecules: A Relativistic Formulation (2001) (5)
- Zero-point vibrational energies of spherical Coulomb crystals. (2009) (5)
- Series analysis methods in enumeration of chemical isomers (1989) (5)
- Endohedral motions inside capped single-walled carbon nanotubes (2003) (5)
- Internal heavy atom effects for chloro- and bromoquinolines (1986) (4)
- Principles of AB initio SCF calculations with minimal storage requirements (1989) (4)
- Oscillatory and fluctuating terms in energies of assemblies of equicharged particles subject to spherically symmetric power-law confining potentials. (2013) (4)
- Ab Initio Calculations on Large Molecules: Methodology and Applications (2007) (4)
- Local-density-matrix approximation: Exact asymptotic results for a high-density homogeneous electron gas (2005) (4)
- A CNDO/S study on the alkylbenzene-TCNE complexes (1986) (4)
- Unusual bonding in the 1,1,1-triamino-2,2,2-tricyanoethane molecule (1990) (4)
- Properties of electron density and other one-electron observables derived from generalized Hiller–Sucher–Feinberg identities (1998) (4)
- Uniform description of the helium isoelectronic series down to the critical nuclear charge with explicitly correlated basis sets derived from regularized Krylov sequences. (2020) (4)
- Transannular interactions in S82+ and Se82+: Reality or artifact? (1997) (4)
- Conformations and thermodynamic properties of sulphur homocycles. II. The fluxional S+ 8 radical cation (2002) (4)
- Systematic Analysis of Substituent Effects: 1. Geminal and Vicinal Interactions in Fluorochloroethanes (1996) (4)
- Thermally Induced Cyclodehydrogenation of Biaryls: A Simple Radical Reaction or a Sequence of Rearrangements? (1998) (4)
- Topology of electron correlation in the b 3Σ+u state of the H2 molecule (2000) (3)
- Screening-controlled morphologies of Yukawa crystals. (2010) (3)
- Ring-diagram summations and the self-energy of the homogeneous electron gas at its weak-correlation limit (2007) (3)
- The electron–electron repulsion energy as a functional of the Hartree–Fock one-electron density matrix (1999) (3)
- Topology of Electron Correlation (2000) (3)
- Electronic Wavefunctions Analysis (2002) (3)
- Electrostatic energy of polygonal charge distributions (2012) (3)
- From Fredholm to Schrödinger via Eikonal: A New Formalism for Revealing Unknown Properties of Natural Orbitals. (2021) (3)
- One-electron densities of freely rotating Wigner molecules (2017) (3)
- Steepest descent perturbation theory for a non-linear schrödinger equation describing the solvent-molecule interaction (1987) (2)
- Ab Initio Electronic Structure Calculations on Endohedral Complexes of the C60 Cluster (1992) (2)
- The spectral radius of the adjacency matrix of benzenoid hydrocarbon (1986) (2)
- Molecular orbital calculations on the peroxydimethoxyl dianion, an intermediate of the blank-finkenbeiner reaction (1990) (2)
- Behavior of the APSG electronic wavefunction near the electron‐electron coalescence point (2004) (2)
- MNDO study of the [2 + 3] cycloaddition of nitroethene to formonitrile N-oxide (1991) (2)
- Algebraic structure count of rotagraphs (1987) (2)
- Ab initio electronic structure calculations on highly charged cations of the C60 cluster (1994) (2)
- Conformations of the S +5 and S +6 homocyclic radical cations (2002) (2)
- The functional derivatives of the Rayleigh's quotient―Concept and applications (1987) (2)
- Fullerenes patched by flowers with octagonal core (2013) (2)
- A benchmark electronic structure study of the Wellington elimination (2005) (2)
- Selfcondensation of 4-Alkoxyacetophenone Anils: A New Route to 1,3,5-Tris[4-alkoxyphenyl]benzenes (1984) (1)
- Solitonic natural orbitals in Coulombic systems. (2022) (1)
- Accuracy of the first-order density matrices calculated with approximate coupled-cluster methods including connected triple excitations (1992) (1)
- Erratum: Density driven self‐consistent field method. I. Derivation and basic properties [J. Chem. Phys. 89, 4871 (1988)] (1989) (1)
- Note: An explicit solution of the optimal superposition and Eckart frame problems. (2016) (1)
- SYSTEMATIC ANALYSIS OF SUBSTITUENT EFFECTS. II. CHARGES AND ENERGIES OF ATOMS IN FLUOROCHLOROETHANES (1999) (1)
- Electrostatic self-energies of discrete charge distributions on Jordan curves (2014) (1)
- On the Validity of the Mulliken-Type Model in Describing the Benzene-Tetracyanoethylene Complex (1985) (1)
- A basis set convergence study of conventional and HSF electron densities in the Li2 molecule (1994) (1)
- Theoretical Determination of the Ground State Geometry of 1.3.5-Triphenylbenzene (1984) (1)
- Conformations and Thermodynamic Properties of Sulfur Homocycles. Part 1. The S5, S6, S7, and S8 Molecules. (2001) (1)
- Electronic Structures of Trifluoro‐, Tricyano‐, and Trinitromethane and Their Conjugate Bases. (1991) (1)
- 1-Matrix functional for long-range interaction energy of two hydrogen atoms. (2023) (1)
- Cumulant Structure Factors of Jellium (2014) (0)
- Bounds for the Hosoya Index (1987) (0)
- Electronic Structure Calculations on Endohedral Complexes of Fullerenes: Reminiscences and Prospects (2023) (0)
- Errors in approximate ionization energies due to the one-electron space truncation of the EKT eigenproblem. (2022) (0)
- Benchmark full configuration interaction calculations on harmonium atoms (2010) (0)
- The Compact Nomenclature of the Benzenoid Hydrocarbons : AShort Review (2017) (0)
- [Development, implementation and testing of highly efficient algorithms for evaluation and analysis of electronic structures]. Progress report, April 1, 1995--July 31, 1996 (1996) (0)
- Theoretical treatise on molecular structure and geometry (1999) (0)
- SELFCONDENSATION OF 4-ALKOXYACETOPHENONE ANILS: A NEW ROUTE TO 1,3,5-TRIS(4-ALKOXYPHENYL)BENZENES (1984) (0)
- Carbon acidity resulting from sulfur substituents (2010) (0)
- Behavior of the APSG electronic wavefunction near the electron‐electron coalescence point (2004) (0)
- Rigorous Interpretation of Electronic Wave Functions. Part 1. Electronic Structures of BH3, B2H6, B3H7, and B3H9. (1993) (0)
- Additive Nodal Increments for Approximate Calculation of the Total π-Electron Energy of Benzenoid Hydrocarbons. (1986) (0)
- Exact topological π-electron Hamiltonians from ab initio wavefunctions? (1993) (0)
- Partial-wave decomposition of the one-electron properties of the LiH molecule computed with explicitly correlated basis sets (2022) (0)
- S 1 Supporting information for : Pd ( II ) and Ni ( II ) complexes featuring a “ phosphasalen ” ligand : synthesis and DFT study (2011) (0)
- MANY- ELECTRON HARMONIUM ATOMS (2008) (0)
- Ring-diagram summations and the self-energy of the uniform electron gas at its weak-correlation limit (0)
- The Role of Ate Complexes in Halogen(Metalloid)—Metal Exchange Reactions: A Theoretical Study. (1998) (0)
- Substituent Effects. Part 4. Nature of Substituent Effects at Carbonyl Groups (2010) (0)
- RhoScope: a highly portable computer program for visualization of the zero-flux atomic surfaces. (1994) (0)
- Large Order Perturbation Theory and Summation Methods in Quantum Mechanics: By G. A. Arteca, F. M. Fernández and E. A. Castro. Springer, New York; 1990. ISBN 0-387-52847-4. 638pp (1991) (0)
- Note on the finite number of interacting neighbors and the finite number of k‐point effects on the total electronic energy of a metallic polymer (1988) (0)
- A charge granularity correction to electrostatic self-energies of planar charge distributions1 (2016) (0)
- Note on the relation between total electronic energy and the sum of orbital energies (1988) (0)
- Contactium: A strongly correlated model system (2023) (0)
- A Universal Power Law Governing the Accuracy of Wave Function-Based Electronic Structure Calculations. (2022) (0)
- Erratum to "Applicability of the ladder theory to the three-dimensional homogeneous electron gas [Phys. Rev. B 71, 125105 (2005)]" (2005) (0)
- First‐principles conformational analysis of the C36H36 spheriphane, a prototype hydrocarbon host cage (2001) (0)
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What Schools Are Affiliated With Jerzy Cioslowski?
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