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Bonding in B2 and B2+: Insights from full configuration interaction and valence bond studies

Computational and theoretical chemistry, 2017-09, Vol.1116, p.92-95

2017

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Bonding in B 2 and B 2 + : Insights from full configuration interaction and valence bond studies

Computational and theoretical chemistry, 2017-09, Vol.1116, p.92-95

2017

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ChemInform Abstract: Valence Bond Theory in Heterocyclic Chemistry

ChemInform, 2015-10, Vol.46 (43), p.no-no

2015

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Zinc coordination to the bapbpy ligand in homogeneous solutions and at liposomes: zinc detection via fluorescence enhancement

Dalton transactions : an international journal of inorganic chemistry, 2013-02, Vol.42 (8), p.2973-2984

2013

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A quadratically convergent VBSCF method

The Journal of chemical physics, 2013-02, Vol.138 (5), p.054105-054105

2013

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Zinc coordination to the bapbpy ligand in homogeneous solutions and at liposomes: zinc detection via fluorescence enhancementElectronic supplementary information (ESI) available. CCDC 863825. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c2dt32488a

2013-01

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Zinc coordination to the bapbpy ligand in homogeneous solutions and at liposomes: zinc detection viafluorescence enhancement

Dalton transactions : an international journal of inorganic chemistry, 2013-01, Vol.42 (8), p.2973-2984

2013

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Resonance and Aromaticity: An Ab Initio Valence Bond Approach

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-05, Vol.116 (19), p.4778-4788

2012

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On the UV spectrum of cross-conjugated 2,3-diphenyl-1,3-butadiene

Chemical physics letters, 2012-03, Vol.528, p.29-33

2012

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N-Acetylmethionine and Biotin as Photocleavable Protective Groups for Ruthenium Polypyridyl Complexes

Chemistry : a European journal, 2011-08, Vol.17 (36), p.9924-9929

2011

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SO2-binding properties of cationic η6,η1-NCN-pincer arene ruthenium platinum complexes: spectroscopic and theoretical studies

Dalton transactions : an international journal of inorganic chemistry, 2011-03, Vol.40 (11), p.2542-2548

2011

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Generation of Kekulé valence structures and the corresponding valence bond wave function

Journal of computational chemistry, 2011-03, Vol.32 (4), p.696-708

2011

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SO2-binding properties of cationic [small eta]6,[small eta]1-NCN-pincer arene ruthenium platinum complexes: spectroscopic and theoretical studies

Dalton transactions : an international journal of inorganic chemistry, 2011-01, Vol.40 (11), p.2542-2548

2011

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Atoms in Valence Bond – AiVB. Synopsis and test results

Chemical physics letters, 2010-11, Vol.500 (1), p.155-160

2010

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Ruthenium-to-Platinum Interactions in η6,η1 NCN-Pincer Arene Heterobimetallic Complexes: An Experimental and Theoretical Study

European Journal of Inorganic Chemistry, 2010, Vol.2010 (29), p.4667-4677

2010

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Ruthenium‐to‐Platinum Interactions in η 6 ,η 1 NCN‐Pincer Arene Heterobimetallic Complexes: An Experimental and Theoretical Study

European journal of inorganic chemistry, 2010-10, Vol.2010 (29), p.4667-4677

2010

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A comparison of approaches to estimate the resonance energy

Theoretical chemistry accounts, 2010-09, Vol.127 (1-2), p.19-25

2010

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Assignment of phantom bands in the solid-state infrared and Raman spectra of coronene: The importance of a minute out-of-plane distortion

The Journal of chemical physics, 2010-01, Vol.132 (3), p.034504-034504-9

2010

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Bimetallic η6,η1 NCN-Pincer Ruthenium Palladium Complexes with η6-RuCp Coordination: Synthesis, X-ray Structures, and Catalytic Properties

Organometallics, 2009-04, Vol.28 (7), p.2325-2333

2009

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Bimetallic η 6 ,η 1 NCN-Pincer Ruthenium Palladium Complexes with η 6 -RuCp Coordination: Synthesis, X-ray Structures, and Catalytic Properties

Organometallics, 2009-04, Vol.28 (7), p.2325-2333

2009

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Spin Coupling and Resonance

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-12, Vol.112 (50), p.13197-13202

2008

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Gas phase adiabatic electron affinities of cyclopenta-fused polycyclic aromatic hydrocarbons

Chemical physics letters, 2008-03, Vol.454 (1), p.30-35

2008

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On the Structure of Cross-Conjugated 2,3-Diphenylbutadiene

European Journal of Organic Chemistry, 2007-10, Vol.2007 (28), p.4746-4751

2007

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Determining the Structure of Silica-Supported Monomeric Vanadium Oxide Catalysts Based on Synthesis Method and Spectral Data from Theoretical Calculations

Journal of physical chemistry. C, 2007-05, Vol.111 (19), p.7071-7077

2007

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On the interpretation of valence bond wavefunctions

Faraday discussions, 2007-01, Vol.135, p.299-308

2007

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Bonding in B2 and B2+: Insights from full configuration interaction and valence bond studies

Bonding in B 2 and B 2 + : Insights from full configuration interaction and valence bond studies

ChemInform Abstract: Valence Bond Theory in Heterocyclic Chemistry

Zinc coordination to the bapbpy ligand in homogeneous solutions and at liposomes: zinc detection via fluorescence enhancement

A quadratically convergent VBSCF method

Zinc coordination to the bapbpy ligand in homogeneous solutions and at liposomes: zinc detection via fluorescence enhancementElectronic supplementary information (ESI) available. CCDC 863825. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c2dt32488a

Zinc coordination to the bapbpy ligand in homogeneous solutions and at liposomes: zinc detection viafluorescence enhancement

Resonance and Aromaticity: An Ab Initio Valence Bond Approach

On the UV spectrum of cross-conjugated 2,3-diphenyl-1,3-butadiene

N-Acetylmethionine and Biotin as Photocleavable Protective Groups for Ruthenium Polypyridyl Complexes

SO2-binding properties of cationic η6,η1-NCN-pincer arene ruthenium platinum complexes: spectroscopic and theoretical studies

Generation of Kekulé valence structures and the corresponding valence bond wave function

SO2-binding properties of cationic [small eta]6,[small eta]1-NCN-pincer arene ruthenium platinum complexes: spectroscopic and theoretical studies

Atoms in Valence Bond – AiVB. Synopsis and test results

Ruthenium-to-Platinum Interactions in η6,η1 NCN-Pincer Arene Heterobimetallic Complexes: An Experimental and Theoretical Study

Ruthenium‐to‐Platinum Interactions in η 6 ,η 1 NCN‐Pincer Arene Heterobimetallic Complexes: An Experimental and Theoretical Study

A comparison of approaches to estimate the resonance energy

Assignment of phantom bands in the solid-state infrared and Raman spectra of coronene: The importance of a minute out-of-plane distortion

Bimetallic η6,η1 NCN-Pincer Ruthenium Palladium Complexes with η6-RuCp Coordination: Synthesis, X-ray Structures, and Catalytic Properties

Bimetallic η 6 ,η 1 NCN-Pincer Ruthenium Palladium Complexes with η 6 -RuCp Coordination: Synthesis, X-ray Structures, and Catalytic Properties

Spin Coupling and Resonance

Gas phase adiabatic electron affinities of cyclopenta-fused polycyclic aromatic hydrocarbons

On the Structure of Cross-Conjugated 2,3-Diphenylbutadiene

Determining the Structure of Silica-Supported Monomeric Vanadium Oxide Catalysts Based on Synthesis Method and Spectral Data from Theoretical Calculations

On the interpretation of valence bond wavefunctions

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