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On the nature of blueshifting hydrogen bonds: Ab initio and density functional studies of several fluoroform complexes

The Journal of chemical physics, 2003-07, Vol.119 (1), p.313-324

2003

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Probing Structural Perturbation in a Bent Molecular Crystal with Synchrotron Infrared Microspectroscopy and Periodic Density Functional Theory Calculations

Journal of the American Chemical Society, 2017-02, Vol.139 (6), p.2318-2328

2017

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Anharmonic Vibrational Frequency Shifts upon Interaction of Phenol(+) with the Open Shell Ligand O2. The Performance of DFT Methods versus MP2

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-03, Vol.116 (8), p.1939-1949

2012

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From Mechanical Effects to Mechanochemistry: Softening and Depression of the Melting Point of Deformed Plastic Crystals

Journal of the American Chemical Society, 2020-06, Vol.142 (25), p.11219-11231

2020

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Model for Photoinduced Bending of Slender Molecular Crystals

Journal of the American Chemical Society, 2014-02, Vol.136 (7), p.2757-2766

2014

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Structure and Dynamics of Water Dangling OH Bonds in Hydrophobic Hydration Shells. Comparison of Simulation and Experiment

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-06, Vol.115 (23), p.6177-6183

2011

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Theoretical and experimental study of the vibrational spectra of (para)symplesite and hörnesite

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2015-06, Vol.144, p.155-162

2015

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Vibrational spectra of the rare‐occurring complex hydrogen arsenate minerals pharmacolite, picropharmacolite, and vladimirite: Dominance of Raman over IR spectroscopy to discriminate arsenate and hydrogen arsenate units

Journal of Raman spectroscopy, 2018-04, Vol.49 (4), p.747-763

2018

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Spectroscopic evidence for characteristic hydrogen bonding pattern in a system with pseudo-Jahn-Teller effect: the chromium(II) saccharinate hexahydrate

Spectroscopy letters, 2020-07, Vol.53 (6), p.466-475

2020

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Defect formation and amorphization of Zn-MOF-74 crystals by post-synthetic interactions with bidentate adsorbates

Journal of materials chemistry. A, Materials for energy and sustainability, 2021-09, Vol.9 (35), p.19698-1974

2021

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Crossroads of vibrational (infrared and Raman) spectroscopy and X-ray powder diffraction in identification and characterization of some minerals – advantages and limitations. A review

Macedonian Journal of Chemistry and Chemical Engineering, 2024-05, Vol.43 (1), p.1-28

2024

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Quantum chemical study of p-toluenesulfonic acid, p-toluenesulfonate anion and the water–p-toluenesulfonic acid complex. Comparison with experimental spectroscopic data

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2011-06, Vol.79 (1), p.27-34

2011

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Anharmonic Vibrational Frequency Shifts upon Interaction of Phenol(+) with the Open Shell Ligand O 2 . The Performance of DFT Methods versus MP2

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-03, Vol.116 (8), p.1939-1949

2012

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On the Origin of the Solid-State Thermochromism and Thermal Fatigue of Polycyclic Overcrowded Enes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-08, Vol.115 (30), p.8563-8570

2011

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Using MD Snapshots in ab Initio and DFT Calculations: OH Vibrations in the First Hydration Shell around Li+(aq)

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2005-06, Vol.109 (23), p.5144-5152

2005

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Tunneling of electrons via rotor–stator molecular interfaces: Combined ab initio and model study

Chemical physics, 2016-07, Vol.473, p.32-39

2016

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Tuning of the Dielectric Relaxation and Complex Susceptibility in a System of Polar Molecules: A Generalised Model Based on Rotational Diffusion with Resetting

Fractal and fractional, 2022-02, Vol.6 (2), p.88

2022

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Minerals from Macedonia. XXIX. Experimental and theoretical study of the vibrational spectra of extremely rare Tl-sulfate mineral from Allchar – Dorallcharite

Vibrational spectroscopy, 2017-03, Vol.89, p.85-91

2017

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Al3+, Ca2+, Mg2+, and Li+ in aqueous solution: calculated first-shell anharmonic OH vibrations at 300 K

The Journal of chemical physics, 2010-11, Vol.133 (17), p.174513-174513

2010

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Solvation of fluoroform and fluoroform-dimethylether dimer in liquid krypton: a theoretical cryospectroscopic study

The Journal of chemical physics, 2013-08, Vol.139 (5), p.054504-054504

2013

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Designing field-controllable graphene-dot-graphene single molecule switches: A quantum-theoretical proof-of-concept under realistic operating conditions

The Journal of chemical physics, 2015-12, Vol.143 (24), p.244704-244704

2015

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Effect of partial fluorination on the Lewis sites of microcrystalline γ-alumina studied by adsorption of pyridine as a probe molecule: A quantum chemical cluster model study

Surface science, 2011-08, Vol.605 (15), p.1522-1533

2011

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The 23rd Congress of Chemists and Technologists of Macedonia

Macedonian Journal of Chemistry and Chemical Engineering, 2014-12, Vol.33 (2), p.313-314

Ljupčo Pejov

2014

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Exploring the possibilities to control the molecular switching properties and dynamics: A field-switchable rotor-stator molecular system

The Journal of chemical physics, 2011-01, Vol.134 (1), p.014708-014708-12

2011

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On the Assessment of Some New Meta-Hybrid and Generalized Gradient Approximation Functionals for Calculations of Anharmonic Vibrational Frequency Shifts in Hydrogen-Bonded Dimers

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-04, Vol.114 (12), p.4354-4363

2010

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On the nature of blueshifting hydrogen bonds: Ab initio and density functional studies of several fluoroform complexes

Probing Structural Perturbation in a Bent Molecular Crystal with Synchrotron Infrared Microspectroscopy and Periodic Density Functional Theory Calculations

Anharmonic Vibrational Frequency Shifts upon Interaction of Phenol(+) with the Open Shell Ligand O2. The Performance of DFT Methods versus MP2

From Mechanical Effects to Mechanochemistry: Softening and Depression of the Melting Point of Deformed Plastic Crystals

Model for Photoinduced Bending of Slender Molecular Crystals

Structure and Dynamics of Water Dangling OH Bonds in Hydrophobic Hydration Shells. Comparison of Simulation and Experiment

Theoretical and experimental study of the vibrational spectra of (para)symplesite and hörnesite

Vibrational spectra of the rare‐occurring complex hydrogen arsenate minerals pharmacolite, picropharmacolite, and vladimirite: Dominance of Raman over IR spectroscopy to discriminate arsenate and hydrogen arsenate units

Spectroscopic evidence for characteristic hydrogen bonding pattern in a system with pseudo-Jahn-Teller effect: the chromium(II) saccharinate hexahydrate

Defect formation and amorphization of Zn-MOF-74 crystals by post-synthetic interactions with bidentate adsorbates

Crossroads of vibrational (infrared and Raman) spectroscopy and X-ray powder diffraction in identification and characterization of some minerals – advantages and limitations. A review

Quantum chemical study of p-toluenesulfonic acid, p-toluenesulfonate anion and the water–p-toluenesulfonic acid complex. Comparison with experimental spectroscopic data

Anharmonic Vibrational Frequency Shifts upon Interaction of Phenol(+) with the Open Shell Ligand O 2 . The Performance of DFT Methods versus MP2

On the Origin of the Solid-State Thermochromism and Thermal Fatigue of Polycyclic Overcrowded Enes

Using MD Snapshots in ab Initio and DFT Calculations: OH Vibrations in the First Hydration Shell around Li+(aq)

Tunneling of electrons via rotor–stator molecular interfaces: Combined ab initio and model study

Tuning of the Dielectric Relaxation and Complex Susceptibility in a System of Polar Molecules: A Generalised Model Based on Rotational Diffusion with Resetting

Minerals from Macedonia. XXIX. Experimental and theoretical study of the vibrational spectra of extremely rare Tl-sulfate mineral from Allchar – Dorallcharite

Al3+, Ca2+, Mg2+, and Li+ in aqueous solution: calculated first-shell anharmonic OH vibrations at 300 K

Solvation of fluoroform and fluoroform-dimethylether dimer in liquid krypton: a theoretical cryospectroscopic study

Designing field-controllable graphene-dot-graphene single molecule switches: A quantum-theoretical proof-of-concept under realistic operating conditions

Effect of partial fluorination on the Lewis sites of microcrystalline γ-alumina studied by adsorption of pyridine as a probe molecule: A quantum chemical cluster model study

The 23rd Congress of Chemists and Technologists of Macedonia

Exploring the possibilities to control the molecular switching properties and dynamics: A field-switchable rotor-stator molecular system

On the Assessment of Some New Meta-Hybrid and Generalized Gradient Approximation Functionals for Calculations of Anharmonic Vibrational Frequency Shifts in Hydrogen-Bonded Dimers

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