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An implementation of the conductor-like screening model of solvation within the Amsterdam density functional package — Part II. COSMO for real solvents

Canadian journal of chemistry, 2009-07, Vol.87 (7), p.790-797

2009

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Use of ab Initio Calculations toward the Rational Design of Room Temperature Ionic Liquids

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2003-04, Vol.107 (13), p.2277-2288

2003

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Structure of the Room-Temperature Ionic Liquid 1-Hexyl-3-methylimidazolium Hydrogen Sulfate: Conformational Isomerism

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-06, Vol.114 (24), p.6713-6720

2010

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Raman Spectroscopic and ab Initio Investigation of Aqueous Boric Acid, Borate, and Polyborate Speciation from 25 to 80 °C

Industrial & engineering chemistry research, 2017-11, Vol.56 (47), p.13983-13996

2017

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Homolytic cleavage of Lawesson's reagent: N-heterocyclic carbene complexes of ArPS2 (Ar = 4-CH3O-C6H4)

Dalton transactions : an international journal of inorganic chemistry, 2018, Vol.47 (18), p.6299-6303

2018

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Two-Step Iron(0)-Mediated N-Demethylation of N-Methyl Alkaloids

Journal of organic chemistry, 2010-07, Vol.75 (14), p.4806-4811

2010

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Hydration of beryllium(II) in aqueous solutions of common inorganic salts. A combined vibrational spectroscopic and ab initio molecular orbital study

Dalton transactions : an international journal of inorganic chemistry, 2009-01 (33), p.6513-6527

2009

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Correction: Zinc(II) hydration in aqueous solution. A Raman spectroscopic investigation and an ab initio molecular orbital study

Physical chemistry chemical physics : PCCP, 2022-12, Vol.24 (48), p.30062-30062

2022

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A Raman spectroscopic and ab initio investigation of aqueous boron speciation under alkaline hydrothermal conditions: evidence for the structure and thermodynamic stability of the diborate ion

Dalton transactions : an international journal of inorganic chemistry, 2023-12, Vol.52 (48), p.18391-18406

2023

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Fabrication of high quality electrochemical SERS (EC-SERS) substrates using physical vapour deposition

Physical chemistry chemical physics : PCCP, 2021-09, Vol.23 (36), p.265-272

2021

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Ab Initio Investigation of the Hydration of the Tetrahedral Perchlorate, Perbromate, Selenate, Arsenate, and Vanadate Anions

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-11, Vol.115 (45), p.13007-13015

2011

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Spectroelectrochemical and computational studies of tetrahydrocannabinol (THC) and carboxy-tetrahydrocannabinol (THC-COOH)

Analyst (London), 2020-03, Vol.145 (5), p.1849-1857

2020

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An ab Initio, Infrared, and Raman Investigation of Phosphate Ion Hydration

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2003-10, Vol.107 (41), p.8746-8755

2003

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An Ab Initio Study of the Effect of Hydration on the Vibrational Spectrum of Hydrogen Vanadate Ion

Journal of solution chemistry, 2024-05, Vol.53 (5), p.626-641

2024

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An Ab Initio Investigation of the Hydration of Antimony(III)

Liquids, 2024-04, Vol.4 (2), p.322-331

2024

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An implementation of the conductor-like screening model of solvation within the Amsterdam density functional package

Theoretical chemistry accounts, 1999-05, Vol.101 (6), p.396-408

1999

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Facial Selectivity in the Diels-Alder Reactions of 2,2-Disubstituted Cyclopent-4-ene-1,3-dione Derivatives and a Computational Examination of the Facial Selectivity of the Diels-Alder Reactions of Structurally Related Dienes and Dienophiles

European Journal of Organic Chemistry, 2012-02, Vol.2012 (6), p.1186-1194

2012

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Preparation of a Diphosphine with Persistent Phosphinyl Radical Character in Solution: Characterization, Reactivity with O2, S8, Se, Te, and P4, and Electronic Structure Calculations

Inorganic chemistry, 2012-11, Vol.51 (21), p.11837-11850

2012

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Desymmetrization in geometry optimization: application to an ab initio study of copper(I) hydration

Pure and applied chemistry, 2020-10, Vol.92 (10), p.1643-1654

2020

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Zinc(II) hydration in aqueous solution. A Raman spectroscopic investigation and an ab-initio molecular orbital study

Physical chemistry chemical physics : PCCP, 1999, Vol.1 (19), p.4583-4593

1999

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Homolytic cleavage of Lawesson's reagent: N-heterocyclic carbene complexes of ArPS 2 (Ar = 4-CH 3 O-C 6 H 4 )

Dalton transactions : an international journal of inorganic chemistry, 2018-05, Vol.47 (18), p.6299-6303

2018

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Investigation of the Ternary Phase Diagram of Water–Propan-2-ol–Sodium Chloride: A Laboratory Experiment

Journal of chemical education, 2018-08, Vol.95 (8), p.1398-1401

2018

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Lewis Base Stabilized Oxophosphonium Ions

Angewandte Chemie (International ed.), 2012-10, Vol.51 (43), p.10836-10840

International ed. in English, 2012

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Raman Spectroscopic Measurements of Scandium(III) Hydration in Aqueous Perchlorate Solution and ab Initio Molecular Orbital Studies of Scandium(III) Water Clusters: Does Sc(III) Occur as a Hexaaqua Complex?

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2000-03, Vol.104 (8), p.1627-1639

2000

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Raman and ab Initio Investigation of Aqueous Cu(I) Chloride Complexes from 25 to 80 °C

The journal of physical chemistry. B, 2014-01, Vol.118 (1), p.204-214

2014

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An implementation of the conductor-like screening model of solvation within the Amsterdam density functional package — Part II. COSMO for real solvents

Use of ab Initio Calculations toward the Rational Design of Room Temperature Ionic Liquids

Structure of the Room-Temperature Ionic Liquid 1-Hexyl-3-methylimidazolium Hydrogen Sulfate: Conformational Isomerism

Raman Spectroscopic and ab Initio Investigation of Aqueous Boric Acid, Borate, and Polyborate Speciation from 25 to 80 °C

Homolytic cleavage of Lawesson's reagent: N-heterocyclic carbene complexes of ArPS2 (Ar = 4-CH3O-C6H4)

Two-Step Iron(0)-Mediated N-Demethylation of N-Methyl Alkaloids

Hydration of beryllium(II) in aqueous solutions of common inorganic salts. A combined vibrational spectroscopic and ab initio molecular orbital study

Correction: Zinc(II) hydration in aqueous solution. A Raman spectroscopic investigation and an ab initio molecular orbital study

A Raman spectroscopic and ab initio investigation of aqueous boron speciation under alkaline hydrothermal conditions: evidence for the structure and thermodynamic stability of the diborate ion

Fabrication of high quality electrochemical SERS (EC-SERS) substrates using physical vapour deposition

Ab Initio Investigation of the Hydration of the Tetrahedral Perchlorate, Perbromate, Selenate, Arsenate, and Vanadate Anions

Spectroelectrochemical and computational studies of tetrahydrocannabinol (THC) and carboxy-tetrahydrocannabinol (THC-COOH)

An ab Initio, Infrared, and Raman Investigation of Phosphate Ion Hydration

An Ab Initio Study of the Effect of Hydration on the Vibrational Spectrum of Hydrogen Vanadate Ion

An Ab Initio Investigation of the Hydration of Antimony(III)

An implementation of the conductor-like screening model of solvation within the Amsterdam density functional package

Facial Selectivity in the Diels-Alder Reactions of 2,2-Disubstituted Cyclopent-4-ene-1,3-dione Derivatives and a Computational Examination of the Facial Selectivity of the Diels-Alder Reactions of Structurally Related Dienes and Dienophiles

Preparation of a Diphosphine with Persistent Phosphinyl Radical Character in Solution: Characterization, Reactivity with O2, S8, Se, Te, and P4, and Electronic Structure Calculations

Desymmetrization in geometry optimization: application to an ab initio study of copper(I) hydration

Zinc(II) hydration in aqueous solution. A Raman spectroscopic investigation and an ab-initio molecular orbital study

Homolytic cleavage of Lawesson's reagent: N-heterocyclic carbene complexes of ArPS 2 (Ar = 4-CH 3 O-C 6 H 4 )

Investigation of the Ternary Phase Diagram of Water–Propan-2-ol–Sodium Chloride: A Laboratory Experiment

Lewis Base Stabilized Oxophosphonium Ions

Raman Spectroscopic Measurements of Scandium(III) Hydration in Aqueous Perchlorate Solution and ab Initio Molecular Orbital Studies of Scandium(III) Water Clusters: Does Sc(III) Occur as a Hexaaqua Complex?

Raman and ab Initio Investigation of Aqueous Cu(I) Chloride Complexes from 25 to 80 °C

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