Eduardo A. Castro
Personal Home Page
http://www.quimica.unlp.edu.ar/profesores/docentes-castro.html
Articles in Scholarly Journals [Incomplete List]
- An exploratory study to investigate possible simple descriptors in order to predict relative activity of antiepileptic enaminones
Journal of Physical Organic Chemistry, vol. 21, no. 5, pp. 409–418, 2008 - Application of a novel ranking approach in QSPR-QSAR
Journal of Mathematical Chemistry, vol. 43, no. 2, pp. 620–636, 2008 - Partial Order Ranking for the aqueous toxicity of aromatic mixtures
Journal of Mathematical Chemistry, vol. 44, no. 2, pp. 541–549, 2008 - 3D-chiral (2.5) atom-based TOMOCOMD-CARDD descriptors: theory and QSAR applications to central chirality codification
Journal of Mathematical Chemistry, 2008 - QSAR prediction of inhibition of aldose reductase for flavonoids
Bioorganic & Medicinal Chemistry, vol. 16, no. 15, pp. 7470–7476, 2008 - New QSPR study for the prediction of aqueous solubility of drug-like compounds
Bioorganic & Medicinal Chemistry, 2008 - Prediction of aqueous toxicity for heterogeneous phenol derivatives by QSAR
Chemometrics and Intelligent Laboratory Systems, vol. 90, no. 2, pp. 97–107, 2008 - QSPR study of the Henry's Law constant for hydrocarbons
Chemometrics and Intelligent Laboratory Systems, vol. 91, no. 2, pp. 133–140, 2008 - Modified and enhanced replacement method for the selection of molecular descriptors in QSAR and QSPR theories
Chemometrics and Intelligent Laboratory Systems, vol. 92, no. 2, pp. 138–144, 2008 - QSAR modeling of the interaction of flavonoids with GABA(A) receptor
European Journal of Medicinal Chemistry, vol. 43, no. 8, pp. 1593–1602, 2008 - Spectroscopic study of the dispiro-1,2,4,5-tetroxane (cyclohexanone diperoxide)
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, vol. 70, no. 4, pp. 775–779, 2008 - A comparative experimental–theoretical study on elastic electron scattering by methane
Journal of Physics B: Atomic, Molecular and Optical Physics, vol. 41, no. 4, p. 045203, 2008 - Catalytic effect of cuprous ions on the thermal decomposition of 3,3,6,6-tetramethyl-1,2,4,5-tetraoxane in methanol solution
Russian Journal of General Chemistry, vol. 78, no. 6, pp. 1273–1276, 2008 - Determination of dissociation constants of <i>p</i>-hydroxybenzophenone in aqueous organic mixtures - Solvent effects
Canadian Journal of Chemistry, vol. 86, no. 5, pp. 462–469, 2008 - POTENTIAL UNUSUAL CHEMICAL BONDING IN MIXED METAL STRUCTURES OF THE 3d TRANSITION SERIES CONTAINING THE ELEMENT Ni
Journal of Theoretical and Computational Chemistry, vol. 6, no. 1, p. 165, 2007 - Chemistry Central Journal, vol. 1, no. 1, p. 6, 2007
- New similarity-based algorithm and its application to classification of anticonvulsant compounds
Journal of Enzyme Inhibition and Medicinal Chemistry, vol. 22, no. 3, pp. 253–265, 2007 - QSAR Studies for the Pharmacological Inhibition of Glycogen Synthase Kinase-3
Medicinal Chemistry, vol. 3, no. 4, pp. 393–417, 2007 - Application of descriptors based on Lipinski’s rules in the QSPR study of aqueous solubilities
Bioorganic & Medicinal Chemistry, vol. 15, no. 11, pp. 3711–3719, 2007 - Effects of the solvent and temperature on the 2:1 catechol–Al(III)-complex
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, vol. 68, no. 2, pp. 387–393, 2007 - The squarographites: A lesson in the chemical topology of tessellations in 2- and 3-dimensions
Solid State Sciences, 2007 - Discovery of anticonvulsant activity of abietic acid through application of linear discriminant analysis
Bioorganic & Medicinal Chemistry Letters, vol. 17, no. 6, pp. 1684–1690, 2007 - QSPR analysis of fluorophilicity for organic compounds
Journal of Fluorine Chemistry, vol. 128, no. 5, pp. 484–492, 2007 - QSAR analysis for heterocyclic antifungals
Bioorganic & Medicinal Chemistry, vol. 15, no. 7, pp. 2680–2689, 2007 - Application of the replacement method as novel variable selection in QSPR. 2. Soil sorption coefficients
Chemometrics and Intelligent Laboratory Systems, vol. 88, no. 2, pp. 197–203, 2007 - A successful virtual screening application: prediction of anticonvulsant activity in MES test of widely used pharmaceutical and food preservatives methylparaben and propylparaben
Journal of Computer-Aided Molecular Design, vol. 21, no. 9, pp. 527–538, 2007 - QSPR Modeling of Heats of Combustion for Carboxylic Acids
QSAR & Combinatorial Science, vol. 26, no. 5, pp. 647–652, 2007 - Kinetics and mechanism of the reactions of polyallylamine with aryl acetates and aryl methyl carbonates
Journal of Physical Organic Chemistry, vol. 19, no. 2, pp. 129–135, 2006 - Dynamic Elasticity of Cubic Diamond
Journal of Mathematical Chemistry, vol. 40, no. 4, pp. 341–347, 2006 - Hexagonite: A Hypothetical Organic Zeolite
Journal of Mathematical Chemistry, vol. 39, no. 3-4, pp. 611–628, 2006 - New Molecular Descriptors based upon the Euler Equations for Chemical Graphs
Journal of Mathematical Chemistry, vol. 41, no. 2, pp. 193–208, 2006 - Some Comments on the Matter Wave-light Wave Hypothesis
Journal of Mathematical Chemistry, vol. 42, no. 3, pp. 367–372, 2006 - Some Comments on the Topological Features of Some 3-,4-connected Networks and their Relationships with the Numbers e and p
Journal of Mathematical Chemistry, vol. 42, no. 3, pp. 373–376, 2006 - Improved QSAR modeling of anti-HIV-1 acivities by means of the optimized correlation weights of local graph invariants
Central European Journal of Chemistry, vol. 4, no. 1, pp. 135–148, 2006 - On topological form in structures
Journal of Mathematical Chemistry, vol. 40, no. 4, pp. 327–340, 2006 - QSPR prediction of the Dubininâ??Radushkevich's k parameter for the adsorption of organic vapors on BPL carbon
Atmospheric Environment, vol. 40, no. 16, pp. 2929–2934, 2006 - Experimental and theoretical study on the substitution reactions of aryl 2,4-dinitrophenyl carbonates with quinuclidines
Tetrahedron, vol. 62, no. 11, pp. 2555–2562, 2006 - A theoretical study of a family of new quinoxaline derivatives
Journal of Molecular Graphics and Modelling, vol. 25, no. 4, pp. 487–494, 2006 - Experimental preparation and UV/IR spectroscopic characterization of 1,3-dibutanal-1,2,4,5-tetroxane
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, vol. 64, no. 3, pp. 717–721, 2006 - QSAR for non-nucleoside inhibitors of HIV-1 reverse transcriptase
Bioorganic & Medicinal Chemistry, vol. 14, no. 17, pp. 5876–5889, 2006 - Application of the replacement method as a novel variable selection strategy in QSAR. 1. Carcinogenic potential
Chemometrics and Intelligent Laboratory Systems, vol. 81, no. 2, pp. 180–187, 2006 - Bonding in some covalent derivatives of the 1,2,3,4-thiatriazole-5-thiolate anion. A topological study
Journal of Molecular Structure: THEOCHEM, vol. 770, no. 1-3, pp. 13–22, 2006 - Journal of Chemical Theory and Computation, vol. 2, no. 5, pp. 1335–1341, 2006
- Journal of Chemical Theory and Computation, vol. 2, no. 3, pp. 775–781, 2006
- Quantum mechanical study of the inclusion process of adamantanol isomers by l-tryptophan-modified-β-cyclodextrin
Molecular Simulation, vol. 32, no. 8, pp. 623–631, 2006 - Journal of Theoretical and Computational Chemistry, vol. 5, no. 2, p. 175, 2006
- Kentuckia: A 4,6,8-connected tetragonal structural pattern in space group P4/nmm
Russian Journal of General Chemistry, vol. 76, no. 2, pp. 265–266, 2006 - Molecular Modeling and Cyclodextrins: A Relationship Strengthened By Complexes
Current Organic Chemistry, vol. 10, no. 7, pp. 715–729, 2006 - Mass spectrometry of β-ketoesters. Some evidence of their tautomerism
European Journal of Mass Spectrometry, vol. 12, no. 5, p. 317, 2006 - Structural and spectroscopic study of 3,6-dibutanoic-1,2,4,5-tetroxane
Molecular Simulation, vol. 31, no. 14-15, pp. 1075–1081, 2005 - A chemically intuitive proposal for the structure of n-diamond
Molecular Physics, vol. 103, no. 20, pp. 2707–2715, 2005 - Moravia: A 3-, 8-connected cubic structural pattern in space group Pm3m
Central European Journal of Chemistry, vol. 3, no. 1, pp. 169–173, 2005 - Geometrical isomerism and conformational charges of selected open-ring enaminones in its neutral and protonated forms
Journal of Molecular Structure: THEOCHEM, vol. 725, no. 1-3, pp. 63–68, 2005 - The Journal of Organic Chemistry, vol. 70, no. 19, pp. 7788–7791, 2005
- The Journal of Organic Chemistry, vol. 70, no. 20, pp. 8088–8092, 2005
- The Journal of Organic Chemistry, vol. 70, no. 7, pp. 2679–2685, 2005
- The Journal of Organic Chemistry, vol. 70, no. 5, pp. 1754–1760, 2005
- The Journal of Organic Chemistry, vol. 70, no. 9, pp. 3530–3536, 2005
- Electronic structure and bulk modulus of silicon dicarbide: a glitter phase
Journal of Molecular Structure: THEOCHEM, vol. 716, no. 1-3, pp. 73–78, 2005 - Theoretical study of the adsorption of CH (=5,8,10) on Ni(100) and Ni(111) surfaces
Journal of Molecular Structure: THEOCHEM, vol. 726, no. 1-3, pp. 197–204, 2005 - A new search algorithm for QSPR/QSAR theories: Normal boiling points of some organic molecules
Chemical Physics Letters, vol. 412, no. 4-6, pp. 376–380, 2005 - Atom, atom-type and total molecular linear indices as a promising approach for bioorganic and medicinal chemistry: theoretical and experimental assessment of a novel method for virtual screening and rational design of new lead anthelmintic
Bioorganic & Medicinal Chemistry, vol. 13, no. 4, pp. 1005–1020, 2005 - Protein linear indices of the ?macromolecular pseudograph ?-carbon atom adjacency matrix? in bioinformatics. Part 1: Prediction of protein stability effects of a complete set of alanine substitutions in Arc repressor
Bioorganic & Medicinal Chemistry, vol. 13, no. 8, pp. 3003–3015, 2005 - Calorimetric and computational study of enthalpy of formation of 3,6-dibutanoic-1,2,4,5-tetroxane
Bioorganic & Medicinal Chemistry, vol. 13, no. 20, pp. 5826–5829, 2005 - QSPR Modeling of Gibbs Free Energy of Organic Compounds by Weighting of Nearest Neighboring Codes
Structural Chemistry, vol. 16, no. 3, pp. 305–324, 2005 - Quantitative structure?activity relationship to predict differential inhibition of aldose reductase by flavonoid compounds
Bioorganic & Medicinal Chemistry, vol. 13, no. 9, pp. 3269–3277, 2005 - Atom, atom-type, and total nonstochastic and stochastic quadratic fingerprints: a promising approach for modeling of antibacterial activity
Bioorganic & Medicinal Chemistry, vol. 13, no. 8, pp. 2881–2899, 2005 - Towards a microscopic theory of the modulus of elasticity in crystalline covalent materials and a survey of potential superhard materials
Journal of Mathematical Chemistry, vol. 38, no. 1, pp. 27–42, 2005 - QSPR modeling of the enthalpy of formation based on Partial Order Ranking
Journal of Mathematical Chemistry, vol. 37, no. 4, pp. 433–441, 2005 - On topological form in structures
Journal of Mathematical Chemistry, vol. 39, no. 1, pp. 33–46, 2005 - Anharmonic compression of the glitter lattice
Journal of Molecular Modeling, vol. 12, no. 1, pp. 111–124, 2005 - Non-stochastic and stochastic linear indices of the molecular pseudographâ??s atom-adjacency matrix: a novel approach for computational in silico screening and â??rationalâ? selection of new lead antibacterial agents
Journal of Molecular Modeling, vol. 12, no. 3, pp. 255–271, 2005 - Theoretical study of kaolinite
International Journal of Quantum Chemistry, vol. 103, no. 5, pp. 550–556, 2005 - Alternative statistical and theoretical analysis of fluorophilicity
Journal of Fluorine Chemistry, vol. 125, no. 1, pp. 43–48, 2004 - 3D-Chiral quadratic indices of the ?molecular pseudograph?s atom adjacency matrix? and their application to central chirality codification: classification of ACE inhibitors and prediction of ?-receptor antagonist activities
Bioorganic & Medicinal Chemistry, vol. 12, no. 20, pp. 5331–5342, 2004 - Tomocomd-Cardd, a novel approach for computer-aided ?
rational? drug design: I. Theoretical and experimental assessment of a promising method for computational screening and in silico design of new anthelmintic compounds
Journal of Computer-Aided Molecular Design, vol. 18, no. 10, pp. 615–634, 2004 - The Journal of Organic Chemistry, vol. 69, no. 7, pp. 2411–2416, 2004
- The Journal of Organic Chemistry, vol. 69, no. 20, pp. 6711–6714, 2004
- The Journal of Organic Chemistry, vol. 69, no. 16, pp. 5399–5404, 2004
- The Journal of Organic Chemistry, vol. 69, no. 14, pp. 4802–4807, 2004
- QSAR modeling of the MAO inhibitory activity of xanthones derivatives
Bioorganic & Medicinal Chemistry Letters, vol. 14, no. 22, pp. 5611–5617, 2004 - QSPR modeling aqueous solubility of polychlorinated biphenyls by optimization of correlation weights of local and global graph invariants
Central European Journal of Chemistry, vol. 2, no. 3, pp. 500–523, 2004 - Journal of Theoretical and Computational Chemistry, vol. 3, no. 2, p. 145, 2004
- QSAR Modeling ANTI-HIV-1 Activities by Optimization of Correlation Weights of Local Graph Invariants
Molecular Simulation, vol. 30, no. 10, pp. 691–696, 2004 - Journal of Theoretical and Computational Chemistry, vol. 3, no. 1, p. 31, 2004
- Spiroconjugation in 1-, 2-, and 3-Dimensions: The Foundations of a Spiro Quantum Chemistry
Journal of Mathematical Chemistry, vol. 36, no. 4, pp. 381–408, 2004 - Relationships Among Potential-Energy Functions
Journal of Mathematical Chemistry, vol. 36, no. 2, pp. 161–165, 2004 - QSPR modeling the aqueous solubility of alcohols by optimization of correlation weights of local graph invariants
Molecular Diversity, vol. 8, no. 4, pp. 325–330, 2004 - Comparative study of core-excitation processes of C(1s) in CO, CO2, OCS and CS2 molecules by electron impact
Journal of Physics B: Atomic, Molecular and Optical Physics, vol. 36, no. 8, pp. 1525–1535, 2003 - Molecular Mechanics Study of Cyclic and Unsymmetrical Diborane(4) Compounds
Russian Journal of General Chemistry, vol. 73, no. 12, pp. 1881–1883, 2003 - Improved QSAR Analysis of the Toxicity of Aliphatic Carboxylic Acids
Russian Journal of General Chemistry, vol. 73, no. 11, pp. 1792–1798, 2003 - The Journal of Organic Chemistry, vol. 68, no. 9, pp. 3640–3645, 2003
- Angle-resolved inner-shell excitation in N2 molecules by electron impact
Chemical Physics, vol. 293, no. 3, pp. 365–374, 2003 - Characterization of human infection by Leishmania spp. in the Northwest of Argentina: immune response, double infection with Trypanosoma cruzi and species of Leishmania involved
Parasitology, vol. 126, no. 1, pp. 31–39, 2003 - The Journal of Organic Chemistry, vol. 68, no. 15, pp. 5930–5935, 2003
- The Journal of Organic Chemistry, vol. 68, no. 21, pp. 8157–8161, 2003
- The Journal of Organic Chemistry, vol. 68, no. 23, pp. 9034–9039, 2003
- The Journal of Organic Chemistry, vol. 68, no. 9, pp. 3608–3613, 2003
- QSPR modeling of heat of formation and heat of vaporization of aliphatic ketones by means of electrotopological indices
Chemical Physics Letters, vol. 369, no. 3-4, pp. 325–334, 2003 - QSAR study of the toxic action of aliphatic compounds to the bacteria Vibrio fisheri based on correlation weighting of local graph invariants
Journal of Molecular Structure: THEOCHEM, vol. 639, no. 1-3, pp. 129–135, 2003 - Development and optimization of cultured goat cream butter
Journal of the American Oil Chemists' Society, vol. 80, no. 10, pp. 987–992, 2003 - Kinetics and mechanism of the aminolysis of 4-nitrophenyl and 2,4-dinitrophenyl 4-methylphenyl carbonates in aqueous ethanol
International Journal of Chemical Kinetics, vol. 34, no. 5, pp. 309–315, 2002 - Trypanosoma cruzi: isoenzyme analysis suggests the presence of an active Chagas sylvatic cycle of recent origin in Paraná State, Brazil
Experimental Parasitology, vol. 100, no. 2, pp. 81–86, 2002 - Improved QSPR analysis of standard entropy of acyclic and aromatic compounds using optimized correlation weights of linear graph invariants
Computers & Chemistry, vol. 26, no. 4, pp. 327–332, 2002 - 3D and 4D molecular models derived from the ideal symmetry method: prediction of alkanes normal boiling points
Chemical Physics Letters, vol. 355, no. 5-6, pp. 517–528, 2002 - Theoretical study of new pseudohalogen CS2N3 and some related compounds
Journal of Molecular Structure: THEOCHEM, vol. 589-590, no. 1-3, pp. 79–87, 2002 - Mass spectrometry as a valuable tool for the study of tautomerism of amides and thioamides
Journal of Molecular Structure: THEOCHEM, vol. 589-590, no. 1-3, pp. 161–170, 2002 - Reaction products arising from the complexation of trimeric o-tetrafluorophenylene mercury with benzene
Journal of Molecular Structure: THEOCHEM, vol. 619, no. 1-3, pp. 45–50, 2002 - Effect of ß-cyclodextrin on the hydrolisis of N-phenylphtalamide and N-adamantylphtalamide—a two-sided semiempirical approach
Journal of Molecular Structure: THEOCHEM, vol. 619, no. 1-3, pp. 91–100, 2002 - Russian Journal of General Chemistry, vol. 72, no. 12, pp. 1867–1873, 2002
- The Journal of Organic Chemistry, vol. 67, no. 13, pp. 4494–4497, 2002
- The Journal of Organic Chemistry, vol. 67, no. 12, pp. 4309–4315, 2002
- The Journal of Organic Chemistry, vol. 67, no. 25, pp. 8911–8916, 2002
- Topological and NBO analysis of hydrogen bonding interactions involving C–H?O bonds
Journal of Molecular Structure: THEOCHEM, vol. 577, no. 2-3, pp. 219–228, 2002 - Experimental and Theoretical Study of the Enthalpy of Formation of 3,6-Diphenyl-1,2,4,5-Tetroxane Molecule
TheScientificWorldJOURNAL, vol. 2, pp. 455–460, 2002 - Upgrading the Wiener index
Journal of the Serbian Chemical Society, vol. 67, no. 10, pp. 647–651, 2002 - Kinetic investigation of the phenolysis of phenyl 4-nitrophenyl and phenyl 2,4-dinitrophenyl carbonates
Journal of the Chemical Society, Perkin Transactions 2, no. 12, pp. 2351–2354, 2001 - Russian Journal of General Chemistry, vol. 71, no. 2, pp. 257–260, 2001
- The Journal of Organic Chemistry, vol. 66, no. 18, pp. 6130–6135, 2001
- The Journal of Organic Chemistry, vol. 66, no. 9, pp. 3129–3132, 2001
- The Journal of Organic Chemistry, vol. 66, no. 20, pp. 6571–6575, 2001
- The Journal of Organic Chemistry, vol. 66, no. 12, pp. 4462–4462, 2001
- Russian Journal of General Chemistry, vol. 71, no. 8, pp. 1314–1317, 2001
- Inclusion complexes of 1:2 stoichiometry between azobenzenes and cyclodextrins: a molecular mechanics study
Journal of Molecular Structure: THEOCHEM, vol. 537, no. 1-3, pp. 235–243, 2001 - Improved molecular descriptors to calculate boiling points based on the optimization of correlation weights of local graph invariants
Journal of Molecular Structure: THEOCHEM, vol. 542, no. 1-3, pp. 107–113, 2001 - Calculation of pK values of flavylium salts from the optimization of correlation weights of local graph invariants
Journal of Molecular Structure: THEOCHEM, vol. 572, no. 1-3, pp. 53–60, 2001 - Structure-reactivity correlations in the aminolysis of aryl chloroformates
International Journal of Chemical Kinetics, vol. 33, no. 5, pp. 281–287, 2001 - Maximum topological distance-based indices as molecular descriptors for QSPR. 3 ? Calculation of the hydrophobicity of polyaromatic hydrocarbons
Journal of Molecular Modeling, vol. 7, no. 6, pp. 178–183, 2001 - Interesterification of tallow and sunflower oil
Journal of the American Oil Chemists' Society, vol. 78, no. 4, pp. 431–436, 2001 - Spectrometric and theoretical evidences for the occurrence of tautomeric structures of selected ketones
Journal of Molecular Structure: THEOCHEM, vol. 532, no. 1-3, pp. 139–142, 2000 - A molecular mechanics study of 1:1 complexes between azobenzene derivatives and ß-cyclodextrin
Journal of Molecular Structure: THEOCHEM, vol. 532, no. 1-3, pp. 171–181, 2000 - QSPR modeling of the enthalpy of formation from elements by means of correlation weighting of local invariants of atomic orbital molecular graphs
Chemical Physics Letters, vol. 330, no. 5-6, pp. 612–623, 2000 - Theoretical conformational study of 1,2,4-trioxane molecule and its halogenated derivatives
Journal of Molecular Structure: THEOCHEM, vol. 530, no. 1-2, pp. 137–147, 2000 - Maximum topological distances based indices as molecular descriptors for QSPR 2 — Application to aromatic hydrocarbons
Computers & Chemistry, vol. 24, no. 5, pp. 571–576, 2000 - An improved QSAR study of toxicity of saturated alcohols
Journal of Molecular Structure: THEOCHEM, vol. 504, no. 1-3, pp. 261–265, 2000 - UV spectroscopic analysis of a substituted 1,2,4-trioxane molecule: theoretical and experimental study of cis-6-phenyl-5,6-(2-phenyl propyliden)-3,3-tetramethylen-1,2,4-trioxacyclohexane
Journal of Molecular Structure: THEOCHEM, vol. 503, no. 3, pp. 165–172, 2000 - Tautomeric equilibrium of amides and related compounds: theoretical and spectral evidences
Journal of Molecular Structure: THEOCHEM, vol. 499, no. 1-3, pp. 121–126, 2000 - Maximum topological distances based indices as molecular descriptors for QSPR. Part 1. Application to alkyl benzenes boiling points
Journal of Molecular Structure: THEOCHEM, vol. 501-502, no. 1-2, pp. 419–425, 2000 - Journal of Organic Chemistry, vol. 65, no. 26, pp. 9047–9053, 2000
- Experimental and theoretical study of trans-3,6-diphenyl 1,2,4,5-tetroxane molecule
Journal of Molecular Structure: THEOCHEM, vol. 459, no. 1-3, pp. 29–35, 1999 - Journal of Organic Chemistry, vol. 64, no. 7, pp. 2310–2313, 1999
- Journal of Organic Chemistry, vol. 64, no. 6, pp. 1953–1957, 1999
- Journal of Organic Chemistry, vol. 64, no. 22, pp. 8298–8301, 1999
- Journal of Organic Chemistry, vol. 64, no. 13, pp. 4817–4820, 1999
- Journal of Organic Chemistry, vol. 64, no. 15, pp. 5401–5407, 1999
- Theoretical study of hydrogen bonding in the 1-hydroperoxy-1-(-nitrophenyl) ethanol
Journal of Molecular Structure: THEOCHEM, vol. 433, no. 1-3, pp. 227–230, 1998 - Theoretical study of and -3,6-dimethoxy-1,2,4,5-tetroxane molecule
Journal of Molecular Structure: THEOCHEM, vol. 433, no. 1-3, pp. 311–317, 1998 - Concerted mechanism of the reactions of 2,4-dinitrophenyl 4-cyanobenzoate with secondary alicyclic amines in aqueous ethanol
International Journal of Chemical Kinetics, vol. 30, no. 4, pp. 267–272, 1998 - Structure-reactivity correlation in the reactions of pyrrolidine with O-ethyl S-aryl dithiocarbonates in aqueous ethanol
International Journal of Chemical Kinetics, vol. 29, no. 2, pp. 113–117, 1997 - Topological analysis of hydrogen bonding interactions involving C_H…O bonds
Journal of Molecular Structure: THEOCHEM, vol. 401, no. 1-2, pp. 77–85, 1997 - Improved simple protocols to calculate hydrocarbon enthalpies of formation from ab initio total energies
Computers & Chemistry, vol. 21, no. 5, pp. 305–308, 1997 - Journal of Organic Chemistry, vol. 62, no. 19, pp. 6568–6574, 1997
- Journal of Organic Chemistry, vol. 62, no. 1, pp. 126–129, 1997
- Journal of Organic Chemistry, vol. 62, no. 8, pp. 2512–2517, 1997
- The Journal of Organic Chemistry, vol. 62, no. 13, pp. 4395–4397, 1997
- Journal of Organic Chemistry, vol. 61, no. 10, pp. 3501–3505, 1996
- Journal of Physical Chemistry, vol. 98, no. 31, pp. 7566–7576, 1994
- Concerted mechanism of the aminolysis of 2,4,6-trinitrophenyl o-ethyl dithiocarbonate in aqueous ethanol
International Journal of Chemical Kinetics, vol. 26, no. 5, pp. 571–575, 1994 - Quasi-algebraic treatment of bound states of simple one-electron systems
Journal of Mathematical Chemistry, vol. 12, no. 1, pp. 1–8, 1993 - Comment on ‘‘Iterative Bogoliubov transformations and anharmonic oscillators’’
Physical Review A, vol. 48, no. 4, pp. 3398–3399, 1993 - Exact perturbation theory for quantum-mechanical systems within boxes
Physical Review A, vol. 46, no. 11, pp. 7288–7291, 1992 - A semiempirical quantum approach to possible structures of copper electrodeposits at submonolayer and monolayer levels on Pt(100) and Pt(111) clusters
Surface Science, vol. 277, no. 1-2, pp. 184–192, 1992 - Potential energy curves of diatomic molecules from the Hill determinant method
Journal of Mathematical Chemistry, vol. 5, no. 2, pp. 177–185, 1990