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Chemical potentials of water and organic solutes in imidazolium ionic liquids: a simulation study

Molecular physics, 2002-10, Vol.100 (20), p.3225-3229

2002

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Theoretical investigations for the molecular structures and binding energies for C6H6(H2O) n , (n = 1-7) complexes

Molecular physics, 2009-04, Vol.107 (8-12), p.1261-1270

2009

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Violations of N-representability from spin-unrestricted orbitals in Møller-Plesset perturbation theory and related double-hybrid density functional theory

Molecular physics, 2009-04, Vol.107 (8-12), p.1223-1232

2009

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Infrared photodissociation spectroscopy of protonated neurotransmitters in the gas phase

Molecular physics, , Vol.105 (5-7), p.689-700

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Computational studies on nonenzymatic pyroglutamylation mechanism of N-terminal glutamic acid residues in aqueous conditions

Molecular physics, 2020-07, Vol.118 (14), p.e1702727

2020

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Nonlinear optical and structural properties of M@C N endohedrals (M = Li, Ca and Sc, N = 60 and 70)

Molecular physics, , Vol.108 (2), p.119-126

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Molecular dynamics simulations of the surface tension of n-hexane, n-decane and n-hexadecane

Molecular physics, 2002-08, Vol.100 (15), p.2471-2475

2002

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Infrared photodissociation spectroscopy of protonated neurotransmitters in the gas phase - ARTICLE WITHDRAWN

Molecular physics, 2006-10, Vol.104 (20-21), p.3317-3328

2006

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Density functional study of the structural and electronic properties of tetra-aluminum oxide (3 ≤ n ≤ 8, λ = 0, −1) clusters

Molecular physics, , Vol.109 (4), p.603-612

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Computational studies on cyclic [n]paraphenyleneacetylenes using homodesmotic reactions

Molecular physics, 2009-10, Vol.107 (20), p.2149-2158

2009

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MkMRCC, APUCC and APUBD approaches to 1,n-didehydropolyene diradicals: the nature of through-bond exchange interactions

Molecular physics, 2010-10, Vol.108 (19-20), p.2559-2578

2010

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A simulation study of films of n-hexane and n-perfluorohexane on a solid surface

Molecular physics, 2001-08, Vol.99 (16), p.1407-1411

2001

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Use of molecular overlap to predict intermolecular repulsion in N ··· H-O hydrogen bonds

Molecular physics, 1998-10, Vol.95 (3), p.525-537

1998

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The atomic and electronic structure of liquid N-methylformamide as determined from diffraction experiments

Molecular physics, 1996-01, Vol.87 (1), p.189-202

NEUEFEIND, J.

1996

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Molecular simulation of phase coexistence in adsorption in porous solids

Molecular physics, 2002-12, Vol.100 (24), p.3803-3815

2002

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Optical properties of 3(nπ) benzophenones in 4, 4′-dibromodiphenylether host crystals

Molecular physics, , Vol.37 (2), p.541-569

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A deuterium N.M.R. study of chain ordering in the liquid crystals 4,4′-di-n-heptyloxyazoxybenzene and 4-n-octyl-4′-cyanobiphenyl

Molecular physics, 1981-02, Vol.42 (3), p.565-594

1981

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The electron spin resonance spectra of CH(SO3)2 = and N(SO3)2

Molecular physics, , Vol.5 (3), p.241-250

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Electron spin resonance of the lowest triplet state of palladiumporphin in a n-octane crystal at 1·3 K

Molecular physics, , Vol.33 (6), p.1545-1563

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E.P.R. studies and INDO calculations on the molecular structure of radicals derived from some N-alkylpyridinium salts

Molecular physics, 1977-07, Vol.34 (1), p.161-170

1977

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The optical and electrical Kerr effect in 4-n-pentyl-4′-cyanobiphenyl

Molecular physics, 1978-12, Vol.36 (6), p.1661-1673

1978

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Formulas for the characteristic polynomial coefficients of the pendant graphs of linear chains, cycles and stars

Molecular physics, 2014-04, Vol.112 (7), p.1021-1029

2014

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Ab Initio Investigation of the Microspecies and Energy in Hydrated Strontium Ion Clusters

Molecular physics, 2018-01, Vol.116 (2), p.273-282

2018

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Hydrogen-vacancy interaction in bcc iron: ab initio calculations and thermodynamics

Molecular physics, 2014-07, Vol.112 (13), p.1745-1754

2014

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Stability versus aromaticity in mono-hydroxylated borazine, 1,2-azaborine and 1,3,2,4-diazadiborine

Molecular physics, 2016-06, Vol.114 (11), p.1763-1770

2016

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Chemical potentials of water and organic solutes in imidazolium ionic liquids: a simulation study

Theoretical investigations for the molecular structures and binding energies for C6H6(H2O) n , (n = 1-7) complexes

Violations of N-representability from spin-unrestricted orbitals in Møller-Plesset perturbation theory and related double-hybrid density functional theory

Infrared photodissociation spectroscopy of protonated neurotransmitters in the gas phase

Computational studies on nonenzymatic pyroglutamylation mechanism of N-terminal glutamic acid residues in aqueous conditions

Nonlinear optical and structural properties of M@C N endohedrals (M = Li, Ca and Sc, N = 60 and 70)

Molecular dynamics simulations of the surface tension of n-hexane, n-decane and n-hexadecane

Infrared photodissociation spectroscopy of protonated neurotransmitters in the gas phase - ARTICLE WITHDRAWN

Density functional study of the structural and electronic properties of tetra-aluminum oxide (3 ≤ n ≤ 8, λ = 0, −1) clusters

Computational studies on cyclic [n]paraphenyleneacetylenes using homodesmotic reactions

MkMRCC, APUCC and APUBD approaches to 1,n-didehydropolyene diradicals: the nature of through-bond exchange interactions

A simulation study of films of n-hexane and n-perfluorohexane on a solid surface

Use of molecular overlap to predict intermolecular repulsion in N ··· H-O hydrogen bonds

The atomic and electronic structure of liquid N-methylformamide as determined from diffraction experiments

Molecular simulation of phase coexistence in adsorption in porous solids

Optical properties of 3(nπ) benzophenones in 4, 4′-dibromodiphenylether host crystals

A deuterium N.M.R. study of chain ordering in the liquid crystals 4,4′-di-n-heptyloxyazoxybenzene and 4-n-octyl-4′-cyanobiphenyl

The electron spin resonance spectra of CH(SO3)2 = and N(SO3)2

Electron spin resonance of the lowest triplet state of palladiumporphin in a n-octane crystal at 1·3 K

E.P.R. studies and INDO calculations on the molecular structure of radicals derived from some N-alkylpyridinium salts

The optical and electrical Kerr effect in 4-n-pentyl-4′-cyanobiphenyl

Formulas for the characteristic polynomial coefficients of the pendant graphs of linear chains, cycles and stars

Ab Initio Investigation of the Microspecies and Energy in Hydrated Strontium Ion Clusters

Hydrogen-vacancy interaction in bcc iron: ab initio calculations and thermodynamics

Stability versus aromaticity in mono-hydroxylated borazine, 1,2-azaborine and 1,3,2,4-diazadiborine

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