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A computational analysis of the apparent nido vs. hypho conflict: are we dealing with six- or eight-vertex open-face diheteroboranes?

Dalton transactions : an international journal of inorganic chemistry, 2015-07, Vol.44 (26), p.11819-11826

2015

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Equilibrium Gas-Phase Structures of Sodium Fluoride, Bromide, and Iodide Monomers and Dimers

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-03, Vol.118 (10), p.1927-1935

2014

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Predicting anisotropic displacement parameters using molecular dynamics: density functional theory plus dispersion modelling of thermal motion in benzophenone

Journal of applied crystallography, 2013-06, Vol.46 (3), p.656-662

2013

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Why is the antipodal effect in closo-1-SB9H9 so large? A possible explanation based on the geometry from the concerted use of gas electron diffraction and computational methods

Dalton transactions : an international journal of inorganic chemistry, 2011-06, Vol.40 (21), p.5734-5737

2011

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Using molecular-dynamics simulations to understand and improve the treatment of anharmonic vibrations. I. Study of positional parameters

Acta crystallographica. Section A, Foundations of crystallography, 2011-07, Vol.67 (4), p.336-345

2011

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Anisotropy of indirect couplings and accurate molecular structures of 1,2- and 1,3-difluorobenzenes by combined analysis of gas electron diffraction, rotational spectroscopy and liquid crystal NMR data

Journal of molecular structure, 2010-12, Vol.984 (1), p.102-110

2010

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Molecular structures of vinylarsine, vinyldichloroarsine and arsine studied by gas-phase electron diffraction and quantum chemical calculations

Journal of molecular structure, 2010-08, Vol.978 (1), p.26-34

2010

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Additivity of ring geometry distortion effects in unsaturated five-membered heterocyclic rings

Journal of molecular structure, 2009-03, Vol.922 (1), p.103-108

2009

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Investigation of the gas-phase structure and rotational barrier of trimethylsilyl trifluoromethanesulfonate and comparison with covalent sulfonates

Journal of molecular structure, 2010-12, Vol.984 (1), p.376-382

2010

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Using molecular-dynamics simulations to understand and improve the treatment of anharmonic vibrations. II. Developing and assessing new Debye-Waller factors

Acta crystallographica. Section A, Foundations of crystallography, 2011-07, Vol.67 (4), p.346-356

2011

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Gas-phase structure, rotational barrier and vibrational properties of trimethylsilyl trifluoroacetate CF sub(3)C(O)OSi(CH sub(3)) sub(3): An experimental and computational study

Journal of molecular structure, 2010-08, Vol.978 (1-3), p.114-123

2010

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Experimental and theoretical studies of the vibrations and structure of 2,2,2-trifluoroethyl trifluoroacetate, CF sub(3CO) sub(2)CH sub(2CF) sub(3)

Journal of molecular structure, 2009-01, Vol.917 (2-3), p.183-192

2009

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Restriction Fragment Length Polymorphism (RFLP) Analysis on DNA from Human Compact Bone

Journal of forensic sciences, 1996-01, Vol.41 (1), p.40-46

1996

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A computational analysis of the apparent nido vs. hypho conflict: are we dealing with six- or eight-vertex open-face diheteroboranes?

Equilibrium Gas-Phase Structures of Sodium Fluoride, Bromide, and Iodide Monomers and Dimers

Predicting anisotropic displacement parameters using molecular dynamics: density functional theory plus dispersion modelling of thermal motion in benzophenone

Why is the antipodal effect in closo-1-SB9H9 so large? A possible explanation based on the geometry from the concerted use of gas electron diffraction and computational methods

Using molecular-dynamics simulations to understand and improve the treatment of anharmonic vibrations. I. Study of positional parameters

Anisotropy of indirect couplings and accurate molecular structures of 1,2- and 1,3-difluorobenzenes by combined analysis of gas electron diffraction, rotational spectroscopy and liquid crystal NMR data

Molecular structures of vinylarsine, vinyldichloroarsine and arsine studied by gas-phase electron diffraction and quantum chemical calculations

Additivity of ring geometry distortion effects in unsaturated five-membered heterocyclic rings

Investigation of the gas-phase structure and rotational barrier of trimethylsilyl trifluoromethanesulfonate and comparison with covalent sulfonates

Using molecular-dynamics simulations to understand and improve the treatment of anharmonic vibrations. II. Developing and assessing new Debye-Waller factors

Gas-phase structure, rotational barrier and vibrational properties of trimethylsilyl trifluoroacetate CF sub(3)C(O)OSi(CH sub(3)) sub(3): An experimental and computational study

Experimental and theoretical studies of the vibrations and structure of 2,2,2-trifluoroethyl trifluoroacetate, CF sub(3CO) sub(2)CH sub(2CF) sub(3)

Restriction Fragment Length Polymorphism (RFLP) Analysis on DNA from Human Compact Bone

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