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Additivity and non-additivity of dissociation energies in intermolecular interactions. Theoretical studies on (H2)n, n = 2-8, (CO2)n, n = 2-6 and (HF)n, n = 2-8

Molecular physics, 2020-09, Vol.118 (18), p.e1753839

Grein, Friedrich

2020

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Complexation of the lithium cation with N,N,N',N'-tetracyclohexyl-1,2-phenylenedioxydiacetamide: experimental and theoretical study

Molecular physics, 2016-07, Vol.114 (13), p.2046-2051

2016

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Tetrel bond involving -CH3 group in HnXCH3 (X = F, Cl, and Br, n = 0; X = O, S, and Se, n = 1; X = N, P, and As, n = 2). Cooperativity with triel bond and beryllium bond

Molecular physics, 2023-03, Vol.121 (5)

2023

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CF4-n (SO3) n (n = 1-4): a new series of organic superhalogens

Molecular physics, 2022-11, Vol.120 (21)

2022

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Solubility of water in mixtures of (n-alkanes + n-perfluoroalkanes) and in n-perfluoroalkylalkanes: experiments and modelling with the SAFT-γ Mie group-contribution approach

Molecular physics, 2021-08, Vol.119 (15-16)

2021

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Reverse-degree-based topological indices of fullerene cage networks

Molecular physics, 2023-07, Vol.121 (14)

2023

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Energy spectra and thermal properties of diatomic molecules in the presence of magnetic and AB fields with improved Kratzer potential

Molecular physics, 2021-03, Vol.119 (5), p.e1821922

2021

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Boron clusters sheets with algebraic properties

Molecular physics, 2023-11, Vol.ahead-of-print (ahead-of-print)

2023

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Can (H2O) n (n = 1-2) as effective catalysts in the CH2OO + H2S reaction under tropospheric conditions?

Molecular physics, 2020-09, Vol.118 (18)

2020

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Probabilistic neural network with the concept of edge weight-based entropy

Molecular physics, 2023-08, Vol.121 (16)

2023

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Inquiring into geometric structures and electronic properties of sodium doped boron clusters: DFT study of NaB n (n = 1-12) clusters

Molecular physics, 2023-02, Vol.121 (3)

2023

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Dynamic induction of satellite lines in rotational Raman spectra of liquid hydrogen

Molecular physics, 2022-08, Vol.120 (15-16)

2022

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Geometrical, thermochemistry and electronic properties of hydrogenated germanium clusters (Ge m H n , m = 3-4, n = 0-10) and their anions

Molecular physics, 2022-12, Vol.120 (24)

2022

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Tetrel bond involving -CH 3 group in H n XCH 3 (X = F, Cl, and Br, n = 0; X = O, S, and Se, n = 1; X = N, P, and As, n = 2). Cooperativity with triel bond and beryllium bond

Molecular physics, 2023-03, Vol.121 (5)

2023

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The magnetocaloric effect, thermo-magnetic and transport properties of LiH diatomic molecule

Molecular physics, 2022-05, Vol.120 (10)

2022

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COVID antiviral drug structures and their edge metric dimension

Molecular physics, 2024-03, Vol.122 (5)

2024

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Structural characterisation of hydrolysed Cm(III)-EDTA solution species under alkaline conditions: a TRLFS, vibronic side-band and quantum chemical study

Molecular physics, 2022-04, Vol.120 (8)

2022

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The geometry, electronic and magnetic properties of VLi n (n = 2-13) clusters using the first-principles and PSO method

Molecular physics, 2020-12, Vol.118 (24)

2020

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Impact of donor acidity on νC≡N and νO-H spectral shifts in O-H···N≡C H-bonded complexes between nitriles and alcohols: a combined IR spectroscopic and quantum chemical investigation

Molecular physics, 2022-05, Vol.120 (10)

2022

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Quantum-mechanical transport properties of N+ (3P) and N+ (1D) ions in a neutral gas made of helium

Molecular physics, 2020-04, Vol.118 (7), p.e1657601

2020

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Theoretic analysis of non-relativistic equation with the Varshni-Eckart potential model in cosmic string topological defects geometry and external fields for the selected diatomic molecules

Molecular physics, 2024-02, Vol.122 (3)

2024

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Aharonov-Bohm (AB) flux and thermomagnetic properties of Hellmann plus screened Kratzer potential as applied to diatomic molecules using Nikiforov-Uvarov-Functional-Analysis (NUFA) method

Molecular physics, 2022-05, Vol.120 (9)

2022

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Comprehensive study of the correlations that exist among the members of the [n]cyclacene series and the Möbius[n]cyclacene series

Molecular physics, 2018-02, Vol.116 (4), p.423-448

Dias, Jerry Ray

2018

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Structures and energetics of Be n Ge n ( n = 1–5) and Be 2 n Ge n ( n = 1–4) clusters

Molecular physics, 2017-07, Vol.115 (13), p.1502-1513

2017

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Infrared spectroscopy of closed s-shell gas-phase M+(N2O)n (M = Li, Al) ion-molecule complexes

Molecular physics, 2019-11, Vol.117 (21), p.2990-3000

2019

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Additivity and non-additivity of dissociation energies in intermolecular interactions. Theoretical studies on (H2)n, n = 2-8, (CO2)n, n = 2-6 and (HF)n, n = 2-8

Complexation of the lithium cation with N,N,N',N'-tetracyclohexyl-1,2-phenylenedioxydiacetamide: experimental and theoretical study

Tetrel bond involving -CH3 group in HnXCH3 (X = F, Cl, and Br, n = 0; X = O, S, and Se, n = 1; X = N, P, and As, n = 2). Cooperativity with triel bond and beryllium bond

CF4-n (SO3) n (n = 1-4): a new series of organic superhalogens

Solubility of water in mixtures of (n-alkanes + n-perfluoroalkanes) and in n-perfluoroalkylalkanes: experiments and modelling with the SAFT-γ Mie group-contribution approach

Reverse-degree-based topological indices of fullerene cage networks

Energy spectra and thermal properties of diatomic molecules in the presence of magnetic and AB fields with improved Kratzer potential

Boron clusters sheets with algebraic properties

Can (H2O) n (n = 1-2) as effective catalysts in the CH2OO + H2S reaction under tropospheric conditions?

Probabilistic neural network with the concept of edge weight-based entropy

Inquiring into geometric structures and electronic properties of sodium doped boron clusters: DFT study of NaB n (n = 1-12) clusters

Dynamic induction of satellite lines in rotational Raman spectra of liquid hydrogen

Geometrical, thermochemistry and electronic properties of hydrogenated germanium clusters (Ge m H n , m = 3-4, n = 0-10) and their anions

Tetrel bond involving -CH 3 group in H n XCH 3 (X = F, Cl, and Br, n = 0; X = O, S, and Se, n = 1; X = N, P, and As, n = 2). Cooperativity with triel bond and beryllium bond

The magnetocaloric effect, thermo-magnetic and transport properties of LiH diatomic molecule

COVID antiviral drug structures and their edge metric dimension

Structural characterisation of hydrolysed Cm(III)-EDTA solution species under alkaline conditions: a TRLFS, vibronic side-band and quantum chemical study

The geometry, electronic and magnetic properties of VLi n (n = 2-13) clusters using the first-principles and PSO method

Impact of donor acidity on νC≡N and νO-H spectral shifts in O-H···N≡C H-bonded complexes between nitriles and alcohols: a combined IR spectroscopic and quantum chemical investigation

Quantum-mechanical transport properties of N+ (3P) and N+ (1D) ions in a neutral gas made of helium

Theoretic analysis of non-relativistic equation with the Varshni-Eckart potential model in cosmic string topological defects geometry and external fields for the selected diatomic molecules

Aharonov-Bohm (AB) flux and thermomagnetic properties of Hellmann plus screened Kratzer potential as applied to diatomic molecules using Nikiforov-Uvarov-Functional-Analysis (NUFA) method

Comprehensive study of the correlations that exist among the members of the [n]cyclacene series and the Möbius[n]cyclacene series

Structures and energetics of Be n Ge n ( n = 1–5) and Be 2 n Ge n ( n = 1–4) clusters

Infrared spectroscopy of closed s-shell gas-phase M+(N2O)n (M = Li, Al) ion-molecule complexes

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