Dage Sundholm

Affiliations

Department of Chemistry, Faculty of Science, P.O. Box 55 (A.I. Virtanens plats 1), FIN-00014 University of Helsinki, Finland. Dage.Sundholm@helsinki.fi.

ORCID: http://orcid.org/0000-0002-2367-9277

Publications (63)

Photophysical properties of the triangular [Au(HN[double bond, length as m-dash]COH)]

Physical chemistry chemical physics : PCCP

Avec: Jonas Greiner , Rashid R Valiev , Dage Sundholm

Aromatic and Antiaromatic Pathways in Triphyrin(2.1.1) Annelated with Benzo[b]heterocycles.

Chemistry (Weinheim an der Bergstrasse, Germany)

Avec: Krzysztof Bartkowski , Maria Dimitrova , Piotr J Chmielewski , Dage Sundholm , Miłosz Pawlicki

Magnetically Induced Ring-Current Strengths of Planar and Nonplanar Molecules: New Insights from the Pseudo-π Model.

The journal of physical chemistry. A

Avec: Mesías Orozco-Ic , Maria Dimitrova , Jorge Barroso , Dage Sundholm , Gabriel Merino

On the origin of the inverted singlet-triplet gap of the 5th generation light-emitting molecules.

Physical chemistry chemical physics : PCCP

Avec: Lucie Tučková , Michal Straka , Rashid R Valiev , Dage Sundholm

Influence of plasmons on the luminescence properties of solvatochromic merocyanine dyes with different solvatochromism.

Physical chemistry chemical physics : PCCP

Avec: Niyazbek Kh Ibrayev , Evgeniya V Seliverstova , Rashid R Valiev , Assel E Kanapina , Alexander A Ishchenko , Andrii V Kulinich , Theo Kurten , Dage Sundholm

On the antiaromatic-aromatic-antiaromatic transition of the stacked cyclobutadiene dimer.

Physical chemistry chemical physics : PCCP

Avec: Mesías Orozco-Ic , Dage Sundholm

Internal conversion induced by external electric and magnetic fields.

Physical chemistry chemical physics : PCCP

Avec: R R Valiev , R T Nasibullin , B S Merzlikin , K Khoroshkin , V N Cherepanov , D Sundholm

A "gold standard" computational proof for the existence of gold(III) aurophilicity.

Dalton transactions (Cambridge, England : 2003)

Avec: Daniel Blasco , Félix Reboiro , Dage Sundholm , M Elena Olmos , Miguel Monge , José M López-de-Luzuriaga

Close Stacking of Antiaromatic Ni(II) Norcorrole Originating from a Four-Electron Multicentered Bonding Interaction.

Journal of the American Chemical Society

Avec: Shota Kino , Shusaku Ukai , Norihito Fukui , Rie Haruki , Reiji Kumai , Qian Wang , Satoshi Horike , Quan Manh Phung , Dage Sundholm , Hiroshi Shinokubo

Attractive acceptor-acceptor interactions in self-complementary quadruple hydrogen bonds for molecular self-assembly.

Physical chemistry chemical physics : PCCP

Avec: Usman Ahmed , Christopher D Daub , Dage Sundholm , Mikael P Johansson

Nonradiative Deactivation of the Fluorescent Ag

The journal of physical chemistry letters

Avec: Ruslan R Ramazanov , Rinat T Nasibullin , Dage Sundholm , Theo Kurtén , Rashid R Valiev

Fast estimation of the internal conversion rate constant in photophysical applications.

Physical chemistry chemical physics : PCCP

Avec: R R Valiev , R T Nasibullin , V N Cherepanov , A Kurtsevich , D Sundholm , T Kurtén

Calculating rate constants for intersystem crossing and internal conversion in the Franck-Condon and Herzberg-Teller approximations.

Physical chemistry chemical physics : PCCP

Avec: Rashid R Valiev , Victor N Cherepanov , Rinat T Nasibullin , Dage Sundholm , Theo Kurten

Calculation of vibrationally resolved absorption spectra of acenes and pyrene.

Physical chemistry chemical physics : PCCP

Avec: Isaac Benkyi , Enrico Tapavicza , Heike Fliegl , Dage Sundholm

Correction: Calculation of vibrationally resolved absorption and fluorescence spectra of the rylenes.

Physical chemistry chemical physics : PCCP

Avec: Jonas Greiner , Dage Sundholm

Benchmarking Magnetizabilities with Recent Density Functionals.

Journal of chemical theory and computation

Avec: Susi Lehtola , Maria Dimitrova , Heike Fliegl , Dage Sundholm

Integration of global ring currents using the Ampère-Maxwell law.

Physical chemistry chemical physics : PCCP

Avec: Raphael J F Berger , Maria Dimitrova , Rinat T Nasibullin , Rashid R Valiev , Dage Sundholm

Magnetically Induced Current Densities in Zinc Porphyrin Nanoshells.

The journal of physical chemistry. A

Avec: Atif Mahmood , Maria Dimitrova , Lukas N Wirz , Dage Sundholm

Non-intersecting ring currents in [12]infinitene.

Physical chemistry chemical physics : PCCP

Avec: Mesías Orozco-Ic , Rashid R Valiev , Dage Sundholm

Internal conversion rate constant calculations considering Duschinsky, anharmonic and Herzberg-Teller effects.

Physical chemistry chemical physics : PCCP

Avec: R R Valiev , B S Merzlikin , R T Nasibullin , A Kurtzevitch , V N Cherepanov , R R Ramazanov , D Sundholm , T Kurtén

The magnetically induced current density of the [12]infinitene dianion.

Physical chemistry chemical physics : PCCP

Avec: Qian Wang , Mesías Orozco-Ic , Dage Sundholm

Current-Density Calculations on Zn-Porphyrin

The journal of physical chemistry. A

Avec: Atif Mahmood , Maria Dimitrova , Dage Sundholm

The effect of hydrogen bonding on the π depletion and the π-π stacking interaction.

Physical chemistry chemical physics : PCCP

Avec: Usman Ahmed , Dage Sundholm , Mikael P Johansson

Interplay of Aromaticity and Antiaromaticity in N-Doped Nanographenes.

The journal of physical chemistry. A

Avec: Isaac Benkyi , Olga Staszewska-Krajewska , Daniel T Gryko , Michał Jaszuński , Amnon Stanger , Dage Sundholm

Benchmarking the Performance of Time-Dependent Density Functional Theory Methods on Biochromophores.

Journal of chemical theory and computation

Avec: Yihan Shao , Ye Mei , Dage Sundholm , Ville R I Kaila

Calculation of vibrationally resolved absorption and fluorescence spectra of the rylenes.

Physical chemistry chemical physics : PCCP

Avec: Jonas Greiner , Dage Sundholm

Aromatic Pathways in Porphycene Derivatives Based on Current-Density Calculations.

The journal of physical chemistry. A

Avec: Isaac Benkyi , Dage Sundholm

Spatial Contributions to Nuclear Magnetic Shieldings.

The journal of physical chemistry. A

Avec: Rahul Kumar Jinger , Heike Fliegl , Radovan Bast , Maria Dimitrova , Susi Lehtola , Dage Sundholm

Perhalophenyl Three-Coordinate Gold(I) Complexes as TADF Emitters: A Photophysical Study from Experimental and Computational Viewpoints.

Inorganic chemistry

Avec: José M López-de-Luzuriaga , Miguel Monge , M Elena Olmos , María Rodríguez-Castillo , Inés Soldevilla , Dage Sundholm , Rashid R Valiev

Odd-Number Cyclo[

The journal of physical chemistry. A

Avec: Glib V Baryshnikov , Rashid R Valiev , Lenara I Valiulina , Alexandr E Kurtsevich , Theo Kurtén , Dage Sundholm , Michael Pittelkow , Jinglai Zhang , Hans Ågren

A theoretical study of M-M' polar-covalent bonding in heterobimetallic multinuclear organometallic complexes of monovalent group 11 metal centres.

Physical chemistry chemical physics : PCCP

Avec: Hassan Rabaâ , Dage Sundholm , Mohammad A Omary

Gold(I)···Lanthanide(III) Bonds in Discrete Heterobimetallic Compounds: A Combined Computational and Topological Study.

Inorganic chemistry

Avec: Daniel Blasco , Dage Sundholm

Gold(i)-containing light-emitting molecules with an inverted singlet-triplet gap.

Chemical science

Avec: Daniel Blasco , Rinat T Nasibullin , Rashid R Valiev , Dage Sundholm

Aromaticity: Quo Vadis.

Chemical science

Avec: Gabriel Merino , Miquel Solà , Israel Fernández , Cina Foroutan-Nejad , Paolo Lazzeretti , Gernot Frenking , Harry L Anderson , Dage Sundholm , Fernando P Cossío , Marina A Petrukhina , Jishan Wu , Judy I Wu , Albeiro Restrepo

Experimental and computational studies of the optical properties of 2,5,8-tris(phenylthiolato)heptazine with an inverted singlet-triplet gap.

Physical chemistry chemical physics : PCCP

Avec: Daniel Blasco , Rinat T Nasibullin , Rashid R Valiev , Miguel Monge , José M López-de-Luzuriaga , Dage Sundholm

The aromatic nature of auracycles and diauracycles based on calculated ring-current strengths.

Dalton transactions (Cambridge, England : 2003)

Avec: Daniel Blasco , Dage Sundholm

A method for designing a novel class of gold-containing molecules.

Chemical communications (Cambridge, England)

Avec: Christian A Celaya , Mesías Orozco-Ic , Maria Dimitrova , Lukas N Wirz , Dage Sundholm

Absorption shifts of diastereotopically ligated chlorophyll dimers of photosystem I.

Physical chemistry chemical physics : PCCP

Avec: Carl-Mikael Suomivuori , Heike Fliegl , Evgeni B Starikov , T Silviu Balaban , Ville R I Kaila , Dage Sundholm

First-principles calculations of anharmonic and deuteration effects on the photophysical properties of polyacenes and porphyrinoids.

Physical chemistry chemical physics : PCCP

Avec: R R Valiev , R T Nasibullin , V N Cherepanov , G V Baryshnikov , D Sundholm , H Ågren , B F Minaev , T Kurtén

Magnetically induced ring currents in naphthalene-fused heteroporphyrinoids.

Physical chemistry chemical physics : PCCP

Avec: Markus Rauhalahti , Dage Sundholm , Mikael P Johansson

Magnetically induced ring currents in metallocenothiaporphyrins.

Physical chemistry chemical physics : PCCP

Avec: Rashid R Valiev , Theo Kurten , Lenara I Valiulina , Sergey Yu Ketkov , Viktor N Cherepanov , Maria Dimitrova , Dage Sundholm

Understanding Aromaticity in [5]Helicene-Bridged Cyclophanes: A Comprehensive Study.

The Journal of organic chemistry

Avec: Mesías Orozco-Ic , Luis Soriano-Agueda , Sílvia Escayola , Dage Sundholm , Gabriel Merino , Eduard Matito

Revisiting Gauge-Independent Kinetic Energy Densities in Meta-GGAs and Local Hybrid Calculations of Magnetizabilities.

The journal of physical chemistry. A

Avec: Caspar J Schattenberg , Artur Wodyński , Hugo Åström , Dage Sundholm , Martin Kaupp , Susi Lehtola

Metallaantiaromaticity of 10-Platinacorrole Complexes.

Journal of the American Chemical Society

Avec: Kazuki Miwa , Tomoya Yokota , Qian Wang , Takahiro Sakurai , Heike Fliegl , Dage Sundholm , Hiroshi Shinokubo

Molecular phosphorescence enhancement by the plasmon field of metal nanoparticles.

Physical chemistry chemical physics : PCCP

Avec: Niyazbek Kh Ibrayev , Rashid R Valiev , Evgeniya V Seliverstova , Evgeniya P Menshova , Rinat T Nasibullin , Dage Sundholm

Organometallic copper(II) complex of

Organic & biomolecular chemistry

Avec: Manik Jana , Daniel Blasco , Dage Sundholm , Harapriya Rath

Core-electron contributions to the magnetic response of molecules with heavy elements and their significance in aromaticity assessments.

Chemical science

Avec: Mesías Orozco-Ic , Luis Soriano-Agueda , Dage Sundholm , Eduard Matito , Gabriel Merino

Changing aromatic properties through stacking: the face-to-face dimer of Ni(II) bis(pentafluorophenyl)norcorrole.

Physical chemistry chemical physics : PCCP

Avec: Qian Wang , Dage Sundholm , Jürgen Gauss , Tommaso Nottoli , Filippo Lipparini , Shota Kino , Shusaku Ukai , Norihito Fukui , Hiroshi Shinokubo

Cyclo[18]carbon: Insight into Electronic Structure, Aromaticity, and Surface Coupling.

The journal of physical chemistry letters

Avec: Glib V Baryshnikov , Rashid R Valiev , Artem V Kuklin , Dage Sundholm , Hans Ågren

Current density and molecular magnetic properties.

Chemical communications (Cambridge, England)

Avec: Dage Sundholm , Maria Dimitrova , Raphael J F Berger

Divergent Carbocatalytic Routes in Oxidative Coupling of Benzofused Heteroaryl Dimers: A Mechanistic Update.

Chemistry (Weinheim an der Bergstrasse, Germany)

Avec: David S Casadio , Santeri Aikonen , Anna Lenarda , Martin Nieger , Tao Hu , Stefan Taubert , Dage Sundholm , Mikko Muuronen , Tom Wirtanen , Juho Helaja

Aromaticity of Even-Number Cyclo[

The journal of physical chemistry. A

Avec: Glib V Baryshnikov , Rashid R Valiev , Rinat T Nasibullin , Dage Sundholm , Theo Kurten , Hans Ågren

Core-electron contributions to the molecular magnetic response.

Physical chemistry chemical physics : PCCP

Avec: Mesías Orozco-Ic , Nickolas D Charistos , Alvaro Muñoz-Castro , Rafael Islas , Dage Sundholm , Gabriel Merino

Calculation of magnetic response properties of tetrazines.

RSC advances

Avec: Mesías Orozco-Ic , Christian A Celaya , Dage Sundholm

Current-density pathways in figure-eight-shaped octaphyrins.

Physical chemistry chemical physics : PCCP

Avec: Qian Wang , Jaakko Pyykkö , Maria Dimitrova , Stefan Taubert , Dage Sundholm

Intramolecular rate-constant calculations based on the correlation function using temperature dependent quantum Green's functions.

Physical chemistry chemical physics : PCCP

Avec: R R Valiev , B S Merzlikin , R T Nasibullin , V N Cherepanov , D Sundholm , T Kurtén

Diagnosing Ring Current(s) in Figure-Eight Skeletons: A 3D Through-Space Conjugation in the Two-Loops Crossing.

Organic letters

Avec: Katarzyna Wypych , Maria Dimitrova , Dage Sundholm , Miłosz Pawlicki

Magnetic response properties of carbon nano-onions.

Physical chemistry chemical physics : PCCP

Avec: Mesías Orozco-Ic , Dage Sundholm

Magnetically Induced Current Densities in π-Conjugated Porphyrin Nanoballs.

The journal of physical chemistry. A

Avec: Atif Mahmood , Maria Dimitrova , Lukas N Wirz , Dage Sundholm

B

Molecules (Basel, Switzerland)

Avec: Li-Xia Bai , Mesías Orozco-Ic , Ximena Zarate , Dage Sundholm , Sudip Pan , Jin-Chang Guo , Gabriel Merino

Time-dependent density functional theory studies of the optical and electronic properties of the [M

Physical chemistry chemical physics : PCCP

Avec: Carlos Orellana , Sebastián Miranda-Rojas , Dage Sundholm , Fernando Mendizabal

Unraveling the enigma of Craig-type Möbius-aromatic osmium compounds.

Dalton transactions (Cambridge, England : 2003)

Avec: Antonia Rabe , Qian Wang , Dage Sundholm

The effect of heavy atoms on the deactivation of electronic excited states of dye molecules near the surface of metal nanoparticles.

Physical chemistry chemical physics : PCCP

Avec: N Ibrayev , E Seliverstova , R Valiev , A Aymagambetova , D Sundholm

Réseau de co-auteurs

Rashid R Valiev 15 collaborations

Maria Dimitrova 13 collaborations

Mesías Orozco-Ic 11 collaborations

Rinat T Nasibullin 7 collaborations

Gabriel Merino 6 collaborations

D Sundholm 6 collaborations

Daniel Blasco 6 collaborations

Qian Wang 6 collaborations

R R Valiev 5 collaborations

R T Nasibullin 5 collaborations

V N Cherepanov 5 collaborations

Heike Fliegl 5 collaborations

Theo Kurten 4 collaborations

T Kurtén 4 collaborations

Jonas Greiner 3 collaborations

B S Merzlikin 3 collaborations

Miguel Monge 3 collaborations

José M López-de-Luzuriaga 3 collaborations

Hiroshi Shinokubo 3 collaborations

Mikael P Johansson 3 collaborations

Isaac Benkyi 3 collaborations

Susi Lehtola 3 collaborations

Atif Mahmood 3 collaborations

Lukas N Wirz 3 collaborations

Glib V Baryshnikov 3 collaborations

Hans Ågren 3 collaborations

Miłosz Pawlicki 2 collaborations

Niyazbek Kh Ibrayev 2 collaborations

Evgeniya V Seliverstova 2 collaborations

M Elena Olmos 2 collaborations

Shota Kino 2 collaborations

Shusaku Ukai 2 collaborations

Norihito Fukui 2 collaborations

Usman Ahmed 2 collaborations

Theo Kurtén 2 collaborations

Raphael J F Berger 2 collaborations

Ville R I Kaila 2 collaborations

Lenara I Valiulina 2 collaborations

Christian A Celaya 2 collaborations

Luis Soriano-Agueda 2 collaborations

Eduard Matito 2 collaborations

Stefan Taubert 2 collaborations

Krzysztof Bartkowski 1 collaboration

Piotr J Chmielewski 1 collaboration

Jorge Barroso 1 collaboration

Lucie Tučková 1 collaboration

Michal Straka 1 collaboration

Assel E Kanapina 1 collaboration

Alexander A Ishchenko 1 collaboration

Andrii V Kulinich 1 collaboration

K Khoroshkin 1 collaboration

Félix Reboiro 1 collaboration

Rie Haruki 1 collaboration

Reiji Kumai 1 collaboration

Satoshi Horike 1 collaboration

Quan Manh Phung 1 collaboration

Christopher D Daub 1 collaboration

Ruslan R Ramazanov 1 collaboration

A Kurtsevich 1 collaboration

Victor N Cherepanov 1 collaboration

Enrico Tapavicza 1 collaboration

A Kurtzevitch 1 collaboration

R R Ramazanov 1 collaboration

Olga Staszewska-Krajewska 1 collaboration

Daniel T Gryko 1 collaboration

Michał Jaszuński 1 collaboration

Amnon Stanger 1 collaboration

Yihan Shao 1 collaboration

Ye Mei 1 collaboration

Rahul Kumar Jinger 1 collaboration

Radovan Bast 1 collaboration

María Rodríguez-Castillo 1 collaboration

Inés Soldevilla 1 collaboration

Alexandr E Kurtsevich 1 collaboration

Michael Pittelkow 1 collaboration

Jinglai Zhang 1 collaboration

Hassan Rabaâ 1 collaboration

Mohammad A Omary 1 collaboration

Miquel Solà 1 collaboration

Israel Fernández 1 collaboration

Cina Foroutan-Nejad 1 collaboration

Paolo Lazzeretti 1 collaboration

Gernot Frenking 1 collaboration

Harry L Anderson 1 collaboration

Fernando P Cossío 1 collaboration

Marina A Petrukhina 1 collaboration

Jishan Wu 1 collaboration

Judy I Wu 1 collaboration

Albeiro Restrepo 1 collaboration

Carl-Mikael Suomivuori 1 collaboration

Evgeni B Starikov 1 collaboration

T Silviu Balaban 1 collaboration

G V Baryshnikov 1 collaboration

H Ågren 1 collaboration

B F Minaev 1 collaboration

Markus Rauhalahti 1 collaboration

Sergey Yu Ketkov 1 collaboration

Viktor N Cherepanov 1 collaboration

Sílvia Escayola 1 collaboration

Caspar J Schattenberg 1 collaboration

Artur Wodyński 1 collaboration

Hugo Åström 1 collaboration

Martin Kaupp 1 collaboration

Kazuki Miwa 1 collaboration

Tomoya Yokota 1 collaboration

Takahiro Sakurai 1 collaboration

Evgeniya P Menshova 1 collaboration

Manik Jana 1 collaboration

Harapriya Rath 1 collaboration

Jürgen Gauss 1 collaboration

Tommaso Nottoli 1 collaboration

Filippo Lipparini 1 collaboration

Artem V Kuklin 1 collaboration

David S Casadio 1 collaboration

Santeri Aikonen 1 collaboration

Anna Lenarda 1 collaboration

Martin Nieger 1 collaboration

Tao Hu 1 collaboration

Mikko Muuronen 1 collaboration

Tom Wirtanen 1 collaboration

Juho Helaja 1 collaboration

Nickolas D Charistos 1 collaboration

Alvaro Muñoz-Castro 1 collaboration

Rafael Islas 1 collaboration

Jaakko Pyykkö 1 collaboration

Katarzyna Wypych 1 collaboration

Li-Xia Bai 1 collaboration

Ximena Zarate 1 collaboration

Sudip Pan 1 collaboration

Jin-Chang Guo 1 collaboration

Carlos Orellana 1 collaboration

Sebastián Miranda-Rojas 1 collaboration

Fernando Mendizabal 1 collaboration

Antonia Rabe 1 collaboration

N Ibrayev 1 collaboration

E Seliverstova 1 collaboration

R Valiev 1 collaboration

A Aymagambetova 1 collaboration