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HeH + under Spatial Confinement

Molecules (Basel, Switzerland), 2022-12, Vol.27 (24), p.8997

2022

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A Look at the Spatial Confining Effect on the Molecular Electrostatic Potential (MEP)-A Case Study of the HF and BrCN Molecules

Molecules (Basel, Switzerland), 2021-09, Vol.26 (19), p.5924

2021

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Could the lithium bond be classified as the σ-hole bond? – QTAIM and NBO analysis

Chemical physics letters, 2014-01, Vol.591, p.113-118

2014

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The photoinactivation of pathogenic bacteria using synthesized benzodioxole-BODIPY dyes

Journal of photochemistry and photobiology. A, Chemistry., 2024-05, Vol.450, p.115474, Article 115474

2024

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Solvatochromism of BODIPY-Schiff Dye

The journal of physical chemistry. B, 2015-02, Vol.119 (6), p.2576-2584

2015

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Characteristics of X-H···π Interactions: Ab Initio and QTAIM Studies

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-05, Vol.115 (18), p.4765-4773

2011

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About the nature of halogen bond interaction under the spatial confinement

The Journal of chemical physics, 2017-04, Vol.146 (15), p.154304-154304

2017

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Hydrogen bonding inside and outside carbon nanotubes: HF dimer as a case study

Physical chemistry chemical physics : PCCP, 2016-01, Vol.18 (4), p.2417-2427

2016

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DFT and spatial confinement: a benchmark study on the structural and electrical properties of hydrogen bonded complexes

Physical chemistry chemical physics : PCCP, 2019, Vol.21 (31), p.17253-17273

2019

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Does the spatial confinement influence the electric properties and cooperative effects of the hydrogen bonded systems? HCN chains as a case study

Chemical physics letters, 2014-07, Vol.608, p.264-268

2014

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Impact of the Keto–Enol Tautomeric Equilibrium on the BODIPY Chromophore

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-07, Vol.122 (28), p.5955-5961

2018

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Hydrogen-bonded complexes upon spatial confinement: structural and energetic aspects

Physical chemistry chemical physics : PCCP, 2014-01, Vol.16 (4), p.1430-1440

2014

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Properties of the Halogen−Hydride Interaction: An ab Initio and “Atoms in Molecules” Analysis

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-08, Vol.110 (34), p.10296-10302

2006

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Comparison of Resonance Assisted and Charge Assisted Effects in Strengthening of Hydrogen Bonds in Dipyrrins

Journal of chemical information and modeling, 2014-01, Vol.54 (1), p.86-95

2014

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Spectroscopic Identification of Hydrogen Bond Vibrations and Quasi-Isostructural Polymorphism in N-Salicylideneaniline

Molecules (Basel, Switzerland), 2021-08, Vol.26 (16), p.5043

2021

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Properties of the C−H···H Dihydrogen Bond: An ab Initio and Topological Analysis

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2004-12, Vol.108 (49), p.10865-10872

2004

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A molecular roundabout: triple cyclically arranged hydrogen bonds in light of experiment and theory

New journal of chemistry, 2018, Vol.42 (24), p.19467-19477

2018

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Electronic Structure, Bonding, Spectra, and Linear and Nonlinear Electric Properties of Ti@C28

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-09, Vol.115 (37), p.10370-10381

2011

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Electronic Structure, Bonding, Spectra, and Linear and Nonlinear Electric Properties of Ti@C 28

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-09, Vol.115 (37), p.10370-10381

2011

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Hydrogen-bond effects on the electronic absorption spectrum and evaluation of nonlinear optical properties of an aminobenzodifuranone derivative that exhibits the largest positive solvatochromism

Journal of molecular modeling, 2005-09, Vol.11 (4-5), p.317-322

2005

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Photochromic cycle of 2'-hydroxyacetophenone azine studied by absorption and emission spectroscopy in different solvents

The Journal of chemical physics, 2013-09, Vol.139 (10), p.104305-104305

2013

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Theoretical study of molecular interactions of TNT, acrylic acid, and ethylene glycol dimethacrylate – Elements of molecularly imprinted polymer modeling process

Polymer (Guilford), 2011-02, Vol.52 (4), p.1206-1216

2011

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Electron-topological, energetic and π-electron delocalization analysis of ketoenamine-enolimine tautomeric equilibrium

Journal of molecular modeling, 2012-01, Vol.18 (1), p.257-263

2012

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Size-Expanded yDNA Bases: An Ab Initio Study

The journal of physical chemistry. B, 2006-03, Vol.110 (12), p.6379-6384

2006

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Electronic Structure, Bonding, Spectra, and Linear and Nonlinear Electric Properties of Ti C sub(28)

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-09, Vol.115 (37), p.10370-10381-10370-10381

2011

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HeH + under Spatial Confinement

A Look at the Spatial Confining Effect on the Molecular Electrostatic Potential (MEP)-A Case Study of the HF and BrCN Molecules

Could the lithium bond be classified as the σ-hole bond? – QTAIM and NBO analysis

The photoinactivation of pathogenic bacteria using synthesized benzodioxole-BODIPY dyes

Solvatochromism of BODIPY-Schiff Dye

Characteristics of X-H···π Interactions: Ab Initio and QTAIM Studies

About the nature of halogen bond interaction under the spatial confinement

Hydrogen bonding inside and outside carbon nanotubes: HF dimer as a case study

DFT and spatial confinement: a benchmark study on the structural and electrical properties of hydrogen bonded complexes

Does the spatial confinement influence the electric properties and cooperative effects of the hydrogen bonded systems? HCN chains as a case study

Impact of the Keto–Enol Tautomeric Equilibrium on the BODIPY Chromophore

Hydrogen-bonded complexes upon spatial confinement: structural and energetic aspects

Properties of the Halogen−Hydride Interaction: An ab Initio and “Atoms in Molecules” Analysis

Comparison of Resonance Assisted and Charge Assisted Effects in Strengthening of Hydrogen Bonds in Dipyrrins

Spectroscopic Identification of Hydrogen Bond Vibrations and Quasi-Isostructural Polymorphism in N-Salicylideneaniline

Properties of the C−H···H Dihydrogen Bond: An ab Initio and Topological Analysis

A molecular roundabout: triple cyclically arranged hydrogen bonds in light of experiment and theory

Electronic Structure, Bonding, Spectra, and Linear and Nonlinear Electric Properties of Ti@C28

Electronic Structure, Bonding, Spectra, and Linear and Nonlinear Electric Properties of Ti@C 28

Hydrogen-bond effects on the electronic absorption spectrum and evaluation of nonlinear optical properties of an aminobenzodifuranone derivative that exhibits the largest positive solvatochromism

Photochromic cycle of 2'-hydroxyacetophenone azine studied by absorption and emission spectroscopy in different solvents

Theoretical study of molecular interactions of TNT, acrylic acid, and ethylene glycol dimethacrylate – Elements of molecularly imprinted polymer modeling process

Electron-topological, energetic and π-electron delocalization analysis of ketoenamine-enolimine tautomeric equilibrium

Size-Expanded yDNA Bases: An Ab Initio Study

Electronic Structure, Bonding, Spectra, and Linear and Nonlinear Electric Properties of Ti C sub(28)

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