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An Overview of Self-Consistent Field Calculations Within Finite Basis Sets

Molecules (Basel, Switzerland), 2020-03, Vol.25 (5), p.1218

2020

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3-methyl-1,2,3-butanetricarboxylic acid: An atmospheric tracer for terpene secondary organic aerosol

Geophysical research letters, 2007-12, Vol.34 (24), p.L24811-n/a

2007

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Characterization of organosulfates from the photooxidation of isoprene and unsaturated fatty acids in ambient aerosol using liquid chromatography/(-) electrospray ionization mass spectrometry

Journal of mass spectrometry., 2008-03, Vol.43 (3), p.371-382

2008

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Quantum Chemical Mass Spectrometry: Verification and Extension of the Mobile Proton Model for Histidine

Journal of the American Society for Mass Spectrometry, 2017-06, Vol.28 (6), p.1227-1235

2017

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(E,E)-N1-(2,3,4,5,6-Pentafluorobenzylidene)-N4-(3,4,5-trimethoxybenzylidene)benzene-1,4-diamine

Acta crystallographica. Section E, Structure reports online, 2011-12, Vol.67 (12), p.o3397-o3398

2011

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Quantum chemical mass spectrometry: Ab initio study of b2‐ion formation mechanisms for the singly protonated Gln‐His‐Ser tripeptide

Rapid communications in mass spectrometry, 2020-06, Vol.34 (12), p.e8778-n/a

2020

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Quantum chemical mass spectrometry: Ab initio study of b 2 -ion formation mechanisms for the singly protonated Gln-His-Ser tripeptide

Rapid communications in mass spectrometry, 2020-06, Vol.34 (12), p.e8778

2020

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Surface properties of organic crystals based on a quantum chemical treatment of crystal facets

Acta crystallographica. Section A, Foundations and advances, 2019-08, Vol.75 (a2), p.e556-e556

2019

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Quantum chemical mass spectrometry: ab initio prediction of electron ionization mass spectra and identification of new fragmentation pathways

Journal of mass spectrometry., 2016-08, Vol.51 (8), p.602-614

2016

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Dynamic Disorder in the Crystal Structure of an Organic Semiconductor: An Unusual Phase Transition Involving the Heat Capacity

Chemistry : a European journal, 2011-01, Vol.17 (3), p.912-919

2011

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Combining crystal engineering strategies in the search for non-centrosymmetric single-crystal structures

Acta crystallographica. Section A, Foundations and advances, 2018-08, Vol.74 (a2), p.e354-e354

2018

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The Challenging World of Simple Inorganic Rings: Revisiting Roesky's Ketone and Roesky's Sulfoxide

Chemistry : a European journal, 2023-12, Vol.29 (67), p.e202302449-n/a

2023

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Molecular and Crystal Structures of CpM(S2N2) (M = Co, Rh, Ir) and Related Compounds

European Journal of Inorganic Chemistry, 2009-10, Vol.2009 (29-30), p.4483-4490

2009

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Inducing differences in modification degree and binding mode of organophosphonic acid grafted titania by changing pH and hydrocarbon chain length

Applied surface science, 2023-12, Vol.639, p.158179, Article 158179

2023

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4-[(E)-2-(2,4,6-Trinitro-phenyl)ethyl-idene]benzonitrile

Acta crystallographica. Section E, Structure reports online, 2010-10, Vol.66 (Pt 10), p.o2694-o2694

2010

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Structures and spectroscopic properties of sulfur-nitrogen-pnictogen chains: R2P–NSN–PR2 and R2P–NSN–AsR2

Journal of molecular structure, 2017-03, Vol.1132, p.102-108

2017

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Structures and spectroscopic properties of sulfur-nitrogen-pnictogen chains: R2P–N S N–PR2 and R2P–N S N–AsR2

Journal of molecular structure, 2017-03, Vol.1132, p.102-108

2017

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Experimental and computational insights into the aminopropylphosphonic acid modification of mesoporous TiO2 powder: The role of the amine functionality on the surface interaction and coordination

Applied surface science, 2021-11, Vol.566, p.150625, Article 150625

2021

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QCMS 2 as a new method for providing insight into peptide fragmentation: The influence of the side-chain and inter-side-chain interactions

Journal of mass spectrometry., 2020-07, Vol.55 (7), p.e4446

2020

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Characterization of polar organosulfates in secondary organic aerosol from the unsaturated aldehydes 2-E-pentenal, 2-E-hexenal, and 3-Z-hexenal

Atmospheric chemistry and physics, 2016-06, Vol.16 (11), p.7135-7148

2016

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Finding polar crystal structures: molecular structures, intermolecular interactions and unit-cell dipoles

Acta crystallographica. Section A, Foundations and advances, 2018-08, Vol.74 (a2), p.e117-e118

2018

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Aqueous or solvent based surface modification: The influence of the combination solvent – organic functional group on the surface characteristics of titanium dioxide grafted with organophosphonic acids

Applied surface science, 2017-09, Vol.416, p.716-724

2017

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QCMS2 as a new method for providing insight into peptide fragmentation: The influence of the side‐chain and inter–side‐chain interactions

Journal of mass spectrometry., 2020-07, Vol.55 (7), p.e4446-n/a

2020

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The Precarious Equilibrium between Different Types of Weak Hydrogen Bonds in Methoxy-Substituted Distyrylbenzenes: The Hybrid Network in E,E-1,4-Bis[2-(2,4,6-trimethoxyphenyl)ethenyl]-2,3,5,6-tetramethoxybenzene

Crystal growth & design, 2006-01, Vol.6 (1), p.241-246

2006

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Revealing the influence of the solvent in combination with temperature, concentration and pH on the modification of TiO2 with 3PA

Materials chemistry and physics, 2016-12, Vol.184, p.324-334

2016

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An Overview of Self-Consistent Field Calculations Within Finite Basis Sets

3-methyl-1,2,3-butanetricarboxylic acid: An atmospheric tracer for terpene secondary organic aerosol

Characterization of organosulfates from the photooxidation of isoprene and unsaturated fatty acids in ambient aerosol using liquid chromatography/(-) electrospray ionization mass spectrometry

Quantum Chemical Mass Spectrometry: Verification and Extension of the Mobile Proton Model for Histidine

(E,E)-N1-(2,3,4,5,6-Pentafluorobenzylidene)-N4-(3,4,5-trimethoxybenzylidene)benzene-1,4-diamine

Quantum chemical mass spectrometry: Ab initio study of b2‐ion formation mechanisms for the singly protonated Gln‐His‐Ser tripeptide

Quantum chemical mass spectrometry: Ab initio study of b 2 -ion formation mechanisms for the singly protonated Gln-His-Ser tripeptide

Surface properties of organic crystals based on a quantum chemical treatment of crystal facets

Quantum chemical mass spectrometry: ab initio prediction of electron ionization mass spectra and identification of new fragmentation pathways

Dynamic Disorder in the Crystal Structure of an Organic Semiconductor: An Unusual Phase Transition Involving the Heat Capacity

Combining crystal engineering strategies in the search for non-centrosymmetric single-crystal structures

The Challenging World of Simple Inorganic Rings: Revisiting Roesky's Ketone and Roesky's Sulfoxide

Molecular and Crystal Structures of CpM(S2N2) (M = Co, Rh, Ir) and Related Compounds

Inducing differences in modification degree and binding mode of organophosphonic acid grafted titania by changing pH and hydrocarbon chain length

4-[(E)-2-(2,4,6-Trinitro-phenyl)ethyl-idene]benzonitrile

Structures and spectroscopic properties of sulfur-nitrogen-pnictogen chains: R2P–NSN–PR2 and R2P–NSN–AsR2

Structures and spectroscopic properties of sulfur-nitrogen-pnictogen chains: R2P–N S N–PR2 and R2P–N S N–AsR2

Experimental and computational insights into the aminopropylphosphonic acid modification of mesoporous TiO2 powder: The role of the amine functionality on the surface interaction and coordination

QCMS 2 as a new method for providing insight into peptide fragmentation: The influence of the side-chain and inter-side-chain interactions

Characterization of polar organosulfates in secondary organic aerosol from the unsaturated aldehydes 2-E-pentenal, 2-E-hexenal, and 3-Z-hexenal

Finding polar crystal structures: molecular structures, intermolecular interactions and unit-cell dipoles

Aqueous or solvent based surface modification: The influence of the combination solvent – organic functional group on the surface characteristics of titanium dioxide grafted with organophosphonic acids

QCMS2 as a new method for providing insight into peptide fragmentation: The influence of the side‐chain and inter–side‐chain interactions

The Precarious Equilibrium between Different Types of Weak Hydrogen Bonds in Methoxy-Substituted Distyrylbenzenes: The Hybrid Network in E,E-1,4-Bis[2-(2,4,6-trimethoxyphenyl)ethenyl]-2,3,5,6-tetramethoxybenzene

Revealing the influence of the solvent in combination with temperature, concentration and pH on the modification of TiO2 with 3PA

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