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High Resistance Compensation Method for Surface Potential Measurement.
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- Croatica Chemica Acta, 2009, v. 82, n. 1, p. 323
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- Article
Carcinogenicity of Styrene Oxide: Calculation of Chemical Reactivity.
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- Croatica Chemica Acta, 2009, v. 82, n. 1, p. 317
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- Article
Molecular Surfaces, van der Waals Radii and Electrostatic Potentials in Relation to Noncovalent Interactions.
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- Croatica Chemica Acta, 2009, v. 82, n. 1, p. 267
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- Article
Analysis of Summer 2006 Ozone Pollution in Zagreb.
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- Croatica Chemica Acta, 2009, v. 82, n. 1, p. 329
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- Article
Predictions of Toxicity to Chlorella vulgaris and the Use of Momentum-space Descriptors.
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- Croatica Chemica Acta, 2009, v. 82, n. 1, p. 311
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- Article
Solvent Effects on the Stereoselectivity of Reaction of Methyl Acrylate, Methyl Methacrylate and Methyl trans-Crotonate with Cyclopentadiene: A Computational Study.
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- Croatica Chemica Acta, 2009, v. 82, n. 1, p. 291
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- Article
Dipole Polarizabilities of Fluorinated Hydrocarbons.
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- Croatica Chemica Acta, 2009, v. 82, n. 1, p. 253
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- Article
Theoretical Aspects of Molecular Recognition.
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- Croatica Chemica Acta, 2009, v. 82, n. 1, p. 277
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- Article
Amlodipine Benzenesulfonate: A Mechanistic Investigation of Its Industrial Preparation via Detritylation of N-tritylamlodipine and Related NMR Studies.
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- Croatica Chemica Acta, 2009, v. 82, n. 1, p. 299
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- Article
On the Angular Independence of Sets of Atomic Orbitals.
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- Croatica Chemica Acta, 2009, v. 82, n. 1, p. 261
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- Article
On the Magnetic Exchange Parameter for an O-Cu-Cu-O Component of Cu<sup>II</sup> Carboxylate Dimers.
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- Croatica Chemica Acta, 2009, v. 82, n. 1, p. 245
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- Article
The Importance of Step Control in Optimization Methods.
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- Croatica Chemica Acta, 2009, v. 82, n. 1, p. 283
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- Article
Comparison of Gold Bonding with Mercury Bonding.
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- Croatica Chemica Acta, 2009, v. 82, n. 1, p. 233
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- Article
The Effects of N-Heterocyclic Ligands on the Nature of the Ru-(NO) Bond in Ruthenium Tetraammine Nitrosyl Complexes.
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- Croatica Chemica Acta, 2009, v. 82, n. 1, p. 219
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- Article
Heptacarbonyldiosmium and Hexacarbonyldiosmium: Two Highly Unsaturated Binuclear Osmium Carbonyls.
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- Croatica Chemica Acta, 2009, v. 82, n. 1, p. 207
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- Article
Bonding, Reactivity and Aromaticity in Some Beryllocene Derivatives.
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- Croatica Chemica Acta, 2009, v. 82, n. 1, p. 193
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- Article
Covalent Character of Hydrogen Bonds Enhanced by π-Electron Derealization.
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- Croatica Chemica Acta, 2009, v. 82, n. 1, p. 185
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- Article
Barriers about Double Carbon-Nitrogen Bond in Imine Derivatives (Aldimines, Oximes, Hydrazones, Azines).
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- Croatica Chemica Acta, 2009, v. 82, n. 1, p. 173
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- Article
The Energetics of Halogenated Ethylenes (Ethynes) and 1,3-Butadienes (Butadiynes): A Computational and Conceptual Study of Substituent Effects and "Dimerization".
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- Croatica Chemica Acta, 2009, v. 82, n. 1, p. 165
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- Article
Ultrafast Excited-state Proton Transfer Processes: Energy Surfaces and On-the-fly Dynamics Simulations.
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- Croatica Chemica Acta, 2009, v. 82, n. 1, p. 105
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- Article
Substituent Effects on B-N Bonding and Coupling Constants in Five-membered Rings N<sub>3</sub>B<sub>2</sub>H<sub>4</sub>X and N<sub>2</sub>B<sub>3</sub>H<sub>4</sub>X, for X = H, F, and Li.
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- Croatica Chemica Acta, 2009, v. 82, n. 1, p. 149
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- Article
Substituent Constants (σ<sub>p</sub><sup>-</sup>) of the Rotated Nitro Group. The Interplay Between the Substituent Effect of a Rotated -NO<sub>2</sub> Group and H-Bonds Affecting π-Electron Derealization in 4-Nitrophenol and 4-Nitrophenolate Complexes: a B3LYP/6-311+G Study
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- Croatica Chemica Acta, 2009, v. 82, n. 1, p. 139
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- Article
Theoretical Study of Doubly Charged [X(H<sub>2</sub>O)] and [X(NH<sub>3</sub>)] (X = Si, Ge, Sn, Pb) Molecular Ions.
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- Croatica Chemica Acta, 2009, v. 82, n. 1, p. 129
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- Article
DFT Studies on Molecular and Electronic Structures of Cationic Carbene Complexes [L<sub>2</sub>(η<sup>5</sup>-C<sub>5</sub>H<sub>5</sub>)Fe=CR<sub>2</sub>]<sup>+</sup> (L = CO, PH<sub>3</sub>, dhpe, PPh<sub>3</sub>; R = H, F, CH<sub>3</sub>).
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- Croatica Chemica Acta, 2009, v. 82, n. 1, p. 115
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- Article
Reformulating the Woodward-Hoffmann Rules in a Conceptual Density Functional Theory Context: the Case of Sigmatropic Reactions.
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- Croatica Chemica Acta, 2009, v. 82, n. 1, p. 157
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- Article
Proton Transfer Chemistry in the Gas Phase. Is a Spontaneous 'Neutralization' Reaction a Myth or a Reality?
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- Croatica Chemica Acta, 2009, v. 82, n. 1, p. 87
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- Article
Assembling Screws: Large Preference for the Homochiral Combination in the Proton-Bound Dimers of 1-Aza[6]helicene in the Gas Phase.
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- Croatica Chemica Acta, 2009, v. 82, n. 1, p. 79
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- Article
Proton and Lithium Cation Binding to Some β-Dicarbonyl Compounds. A Theoretical Study.
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- Croatica Chemica Acta, 2009, v. 82, n. 1, p. 71
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- Article
Proton Affinities of Didehydroporphyrin and Subporphyrin in Ground and Excited States Obtained by Quantum Chemical Calculations.
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- Croatica Chemica Acta, 2009, v. 82, n. 1, p. 63
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- Article
Acidifying Effect of an N-Oxide Group - A Useful Motif in Enhancing Acidity towards Superacidic Values.
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- Croatica Chemica Acta, 2009, v. 82, n. 1, p. 27
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- Article
Acidity Enhancement of the Cyclopentadiene Ring by PH<sub>2</sub> and AsH<sub>2</sub> Substitution.
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- Croatica Chemica Acta, 2009, v. 82, n. 1, p. 1
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- Article
Neutral Intramolecular Hydrogen-Bonded Bases.
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- Croatica Chemica Acta, 2009, v. 82, n. 1, p. 41
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- Article
Gas-phase Basicity of Glycine.
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- Croatica Chemica Acta, 2009, v. 82, n. 1, p. 47
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- Article
Predicting the Acidities of Substituted Phenols Using Electrostatic Potential at Nuclei.
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- Croatica Chemica Acta, 2009, v. 82, n. 1, p. 21
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- Article
Gaseous [C<sub>n</sub>H<sub>2n+1</sub><sup>+</sup> ... 1,3-Diphenylpropane] Ion/Neutral Complexes Containing Alkyl Cations of Different Acidities and Hydride Ion Affinities.
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- Croatica Chemica Acta, 2009, v. 82, n. 1, p. 7
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- Article