Dage Sundholm (D Sundholm)

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 98

Top Topics

Density Functional Theory

Diffusion Weighted

Photodynamic Therapy

Metal Organic Framework

Top Venues

Physical chemistry chemical physics : PCCP

The journal of physical chemistry. A

Dalton transactions (Cambridge, England : 2003)

Journal of the American Chemical Society

This page only lists publications with an associated author ORCID identifier.

Publications

Rashid R Valiev, B S Merzlikin, R T Nasibullin, V N Cherepanov, Dage Sundholm, T Kurtén
Intramolecular rate-constant calculations based on the correlation function using temperature dependent quantum Green's functions. Physical chemistry chemical physics : PCCP (2024)
Kazuki Miwa, Tomoya Yokota, Qian Wang, Takahiro Sakurai, Heike Fliegl, Dage Sundholm, Hiroshi Shinokubo
Metallaantiaromaticity of 10-Platinacorrole Complexes. Journal of the American Chemical Society (2024)
Shota Kino, Shusaku Ukai, Norihito Fukui, Rie Haruki, Reiji Kumai, Qian Wang, Satoshi Horike, Quan Manh Phung, Dage Sundholm, Hiroshi Shinokubo
Close Stacking of Antiaromatic Ni(II) Norcorrole Originating from a Four-Electron Multicentered Bonding Interaction. Journal of the American Chemical Society 146 (13) (2024)
Qian Wang, Dage Sundholm, Jürgen Gauss, Tommaso Nottoli, Filippo Lipparini, Shota Kino, Shusaku Ukai, Norihito Fukui, Hiroshi Shinokubo
Changing aromatic properties through stacking: the face-to-face dimer of Ni(II) bis(pentafluorophenyl)norcorrole. Physical chemistry chemical physics : PCCP 26 (20) (2024)
Rashid R Valiev, R T Nasibullin, B S Merzlikin, K Khoroshkin, V N Cherepanov, Dage Sundholm
Internal conversion induced by external electric and magnetic fields. Physical chemistry chemical physics : PCCP (2024)
Shota Kino, Shusaku Ukai, Norihito Fukui, Rie Haruki, Reiji Kumai, Qian Wang, Satoshi Horike, Quan Manh Phung, Dage Sundholm, Hiroshi Shinokubo
Close Stacking of Antiaromatic Ni(II) Norcorrole Originating from a Four-Electron Multicentered Bonding Interaction. Journal of the American Chemical Society (2024)
Rashid R Valiev, R T Nasibullin, B S Merzlikin, K Khoroshkin, V N Cherepanov, Dage Sundholm
Internal conversion induced by external electric and magnetic fields. Physical chemistry chemical physics : PCCP 26 (4) (2024)
Qian Wang, Dage Sundholm, Jürgen Gauss, Tommaso Nottoli, Filippo Lipparini, Shota Kino, Shusaku Ukai, Norihito Fukui, Hiroshi Shinokubo
Changing aromatic properties through stacking: the face-to-face dimer of Ni(II) bis(pentafluorophenyl)norcorrole. Physical chemistry chemical physics : PCCP (2024)
Daniel Blasco, Dage Sundholm
The aromatic nature of auracycles and diauracycles based on calculated ring-current strengths. Dalton transactions (Cambridge, England : 2003) (2024)
Kazuki Miwa, Tomoya Yokota, Qian Wang, Takahiro Sakurai, Heike Fliegl, Dage Sundholm, Hiroshi Shinokubo
Metallaantiaromaticity of 10-Platinacorrole Complexes. Journal of the American Chemical Society 146 (2) (2024)
Antonia Rabe, Qian Wang, Dage Sundholm
Unraveling the enigma of Craig-type Möbius-aromatic osmium compounds. Dalton transactions (Cambridge, England : 2003) (2024)
Niyazbek Kh Ibrayev, Rashid R Valiev, Evgeniya V Seliverstova, Evgeniya P Menshova, Rinat T Nasibullin, Dage Sundholm
Molecular phosphorescence enhancement by the plasmon field of metal nanoparticles. Physical chemistry chemical physics : PCCP (2024)
Antonia Rabe, Qian Wang, Dage Sundholm
Unraveling the enigma of Craig-type Möbius-aromatic osmium compounds. Dalton transactions (Cambridge, England : 2003) 53 (26) (2024)
Manik Jana, Daniel Blasco, Dage Sundholm, Harapriya Rath
Organometallic copper(II) complex of meso - meso N -methyl N-confused pyrrole-bridged doubly N -methyl N-confused hexaphyrin. Organic & biomolecular chemistry (2024)
Shota Kino, Shusaku Ukai, Norihito Fukui, Rie Haruki, Reiji Kumai, Qian Wang, Satoshi Horike, Quan Manh Phung, Dage Sundholm, Hiroshi Shinokubo
Close Stacking of Antiaromatic Ni(II) Norcorrole Originating from a Four-Electron Multicentered Bonding Interaction. Journal of the American Chemical Society 146 (13) (2024)
Daniel Blasco, Rinat T Nasibullin, Rashid R Valiev, Miguel Monge, José María López-de-Luzuriaga, Dage Sundholm
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 (2024)
Mesías Orozco-Ic, Luis Soriano-Agueda, Sílvia Escayola, Dage Sundholm, Gabriel Merino, Eduard Matito
Understanding Aromaticity in [5]Helicene-Bridged Cyclophanes: A Comprehensive Study. The Journal of organic chemistry 89 (4) (2024)
Daniel Blasco, Dage Sundholm
The aromatic nature of auracycles and diauracycles based on calculated ring-current strengths. Dalton transactions (Cambridge, England : 2003) 53 (24) (2024)
Antonia Rabe, Qian Wang, Dage Sundholm
Unraveling the enigma of Craig-type Möbius-aromatic osmium compounds. Dalton transactions (Cambridge, England : 2003) 53 (26) (2024)
Mesías Orozco-Ic, Luis Soriano-Agueda, Dage Sundholm, Eduard Matito, Gabriel Merino
Core-electron contributions to the magnetic response of molecules with heavy elements and their significance in aromaticity assessments. Chemical science 15 (32) (2024)
Mesías Orozco-Ic, Luis Soriano-Agueda, Dage Sundholm, Eduard Matito, Gabriel Merino
Core-electron contributions to the magnetic response of molecules with heavy elements and their significance in aromaticity assessments. Chemical science 15 (32) (2024)
Mesías Orozco-Ic, Luis Soriano-Agueda, Sílvia Escayola, Dage Sundholm, Gabriel Merino, Eduard Matito
Understanding Aromaticity in [5]Helicene-Bridged Cyclophanes: A Comprehensive Study. The Journal of organic chemistry (2024)
Usman Ahmed, Christopher David Daub, Dage Sundholm, Mikael P Johansson
Attractive acceptor-acceptor interactions in self-complementary quadruple hydrogen bonds for molecular self-assembly. Physical chemistry chemical physics : PCCP (2024)
Daniel Blasco, Dage Sundholm
The aromatic nature of auracycles and diauracycles based on calculated ring-current strengths. Dalton transactions (Cambridge, England : 2003) (2024)
Rashid R Valiev, B S Merzlikin, R T Nasibullin, V N Cherepanov, Dage Sundholm, T Kurtén
Intramolecular rate-constant calculations based on the correlation function using temperature dependent quantum Green's functions. Physical chemistry chemical physics : PCCP 26 (5) (2024)
Kazuki Miwa, Tomoya Yokota, Qian Wang, Takahiro Sakurai, Heike Fliegl, Dage Sundholm, Hiroshi Shinokubo
Metallaantiaromaticity of 10-Platinacorrole Complexes. Journal of the American Chemical Society 146 (2) (2024)
Mesías Orozco-Ic, Luis Soriano-Agueda, Sílvia Escayola, Dage Sundholm, Gabriel Merino, Eduard Matito
Understanding Aromaticity in [5]Helicene-Bridged Cyclophanes: A Comprehensive Study. The Journal of organic chemistry (2024)
Mesías Orozco-Ic, Luis Soriano-Agueda, Sílvia Escayola, Dage Sundholm, Gabriel Merino, Eduard Matito
Understanding Aromaticity in [5]Helicene-Bridged Cyclophanes: A Comprehensive Study. The Journal of organic chemistry (2024)
Shota Kino, Shusaku Ukai, Norihito Fukui, Rie Haruki, Reiji Kumai, Qian Wang, Satoshi Horike, Quan Manh Phung, Dage Sundholm, Hiroshi Shinokubo
Close Stacking of Antiaromatic Ni(II) Norcorrole Originating from a Four-Electron Multicentered Bonding Interaction. Journal of the American Chemical Society 146 (13) (2024)
Manik Jana, Daniel Blasco, Dage Sundholm, Harapriya Rath
Organometallic copper(II) complex of meso - meso N -methyl N-confused pyrrole-bridged doubly N -methyl N-confused hexaphyrin. Organic & biomolecular chemistry 22 (22) (2024)
Manik Jana, Daniel Blasco, Dage Sundholm, Harapriya Rath
Organometallic copper(II) complex of meso - meso N -methyl N-confused pyrrole-bridged doubly N -methyl N-confused hexaphyrin. Organic & biomolecular chemistry 22 (22) (2024)
Niyazbek Kh Ibrayev, Rashid R Valiev, Evgeniya V Seliverstova, Evgeniya P Menshova, Rinat T Nasibullin, Dage Sundholm
Molecular phosphorescence enhancement by the plasmon field of metal nanoparticles. Physical chemistry chemical physics : PCCP 26 (20) (2024)
Daniel Blasco, Rinat T Nasibullin, Rashid R Valiev, Miguel Monge, José María López-de-Luzuriaga, Dage Sundholm
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 26 (7) (2024)
Daniel Blasco, Dage Sundholm
The aromatic nature of auracycles and diauracycles based on calculated ring-current strengths. Dalton transactions (Cambridge, England : 2003) 53 (24) (2024)
Hassan Rabaâ, Dage Sundholm, Mohammad A Omary
A theoretical study of M-M' polar-covalent bonding in heterobimetallic multinuclear organometallic complexes of monovalent group 10 metal centres. Physical chemistry chemical physics : PCCP (2023)
Qian Wang, Jaakko Pyykkö, Maria Dimitrova, Stefan Taubert, Dage Sundholm
Current-density pathways in figure-eight-shaped octaphyrins. Physical chemistry chemical physics : PCCP (2023)
Caspar J Schattenberg, Artur Wodyński, Hugo Åström, Dage Sundholm, Martin Kaupp, Susi Lehtola
Revisiting Gauge-Independent Kinetic Energy Densities in Meta-GGAs and Local Hybrid Calculations of Magnetizabilities. The journal of physical chemistry. A 127 (51) (2023)
Caspar J Schattenberg, Artur Wodyński, Hugo Åström, Dage Sundholm, Martin Kaupp, Susi Lehtola
Revisiting Gauge-Independent Kinetic Energy Densities in Meta-GGAs and Local Hybrid Calculations of Magnetizabilities. The journal of physical chemistry. A 127 (51) (2023)
Daniel Blasco, Félix Reboiro, Dage Sundholm, M Elena Olmos, Miguel Monge, José María López-de-Luzuriaga
A "gold standard" computational proof for the existence of gold(III) aurophilicity. Dalton transactions (Cambridge, England : 2003) 52 (8) (2023)
Caspar J Schattenberg, Artur Wodyński, Hugo Åström, Dage Sundholm, Martin Kaupp, Susi Lehtola
Revisiting Gauge-Independent Kinetic Energy Densities in Meta-GGAs and Local Hybrid Calculations of Magnetizabilities. The journal of physical chemistry. A 127 (51) (2023)
Rashid R Valiev, B S Merzlikin, R T Nasibullin, Alexander E Kurtsevich, V N Cherepanov, R R Ramazanov, Dage Sundholm, T Kurtén
Internal conversion rate constant calculations considering Duschinsky, anharmonic and Herzberg-Teller effects. Physical chemistry chemical physics : PCCP 25 (8) (2023)
Mesías Orozco-Ic, Dage Sundholm
On the antiaromatic-aromatic-antiaromatic transition of the stacked cyclobutadiene dimer. Physical chemistry chemical physics : PCCP 25 (18) (2023)
Gabriel Merino, Miquel Solá, Israel Fernández, Cina Foroutan-Nejad, Paolo Lazzeretti, Gernot Frenking, Harry L Anderson, Dage Sundholm, Fernando P Cossío, Marina A Petrukhina, Jishan Wu, Judy I-Chia Wu, Albeiro Restrepo
Aromaticity: Quo Vadis. Chemical science 14 (21) (2023)
Niyazbek Kh Ibrayev, Evgeniya V Seliverstova, Rashid R Valiev, Assel E Kanapina, Alexander A Ishchenko, Andrii V Kulinich, Theo Kurten, Dage Sundholm
Influence of plasmons on the luminescence properties of solvatochromic merocyanine dyes with different solvatochromism. Physical chemistry chemical physics : PCCP (2023)
Atif Mahmood, Maria Dimitrova, Dage Sundholm
Current-Density Calculations on Zn-Porphyrin 40 Nanorings. The journal of physical chemistry. A (2023)
Mesías Orozco-Ic, Dage Sundholm
On the antiaromatic-aromatic-antiaromatic transition of the stacked cyclobutadiene dimer. Physical chemistry chemical physics : PCCP (2023)
Qian Wang, Jaakko Pyykkö, Maria Dimitrova, Stefan Taubert, Dage Sundholm
Current-density pathways in figure-eight-shaped octaphyrins. Physical chemistry chemical physics : PCCP (2023)
Caspar J Schattenberg, Artur Wodyński, Hugo Åström, Dage Sundholm, Martin Kaupp, Susi Lehtola
Revisiting Gauge-Independent Kinetic Energy Densities in Meta-GGAs and Local Hybrid Calculations of Magnetizabilities. The journal of physical chemistry. A (2023)
Qian Wang, Mesías Orozco-Ic, Dage Sundholm
The magnetically induced current density of the [12]infinitene dianion. Physical chemistry chemical physics : PCCP (2023)
Hassan Rabaâ, Dage Sundholm, Mohammad A Omary
A theoretical study of M-M' polar-covalent bonding in heterobimetallic multinuclear organometallic complexes of monovalent group 10 metal centres. Physical chemistry chemical physics : PCCP (2023)
Hassan Rabaâ, Dage Sundholm, Mohammad A Omary
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 (2023)
Qian Wang, Jaakko Pyykkö, Maria Dimitrova, Stefan Taubert, Dage Sundholm
Current-density pathways in figure-eight-shaped octaphyrins. Physical chemistry chemical physics : PCCP (2023)
Mesías Orozco-Ic, Dage Sundholm
On the antiaromatic-aromatic-antiaromatic transition of the stacked cyclobutadiene dimer. Physical chemistry chemical physics : PCCP 25 (18) (2023)
Daniel Blasco, Félix Reboiro, Dage Sundholm, M Elena Olmos, Miguel Monge, José María López-de-Luzuriaga
A "gold standard" computational proof for the existence of gold(III) aurophilicity. Dalton transactions (Cambridge, England : 2003) (2023)
Qian Wang, Jaakko Pyykkö, Maria Dimitrova, Stefan Taubert, Dage Sundholm
Current-density pathways in figure-eight-shaped octaphyrins. Physical chemistry chemical physics : PCCP 25 (17) (2023)
Hassan Rabaâ, Dage Sundholm, Mohammad A Omary
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 25 (11) (2023)
Daniel Blasco, Rinat T Nasibullin, Rashid R Valiev, Dage Sundholm
Gold(i)-containing light-emitting molecules with an inverted singlet-triplet gap. Chemical science 14 (14) (2023)
Rashid R Valiev, B S Merzlikin, R T Nasibullin, Alexander E Kurtsevich, V N Cherepanov, R R Ramazanov, Dage Sundholm, T Kurtén
Internal conversion rate constant calculations considering Duschinsky, anharmonic and Herzberg-Teller effects. Physical chemistry chemical physics : PCCP (2023)
Mesías Orozco-Ic, Nickolas D Charistos, Alvaro Munoz-Castro, Rafael Islas, Dage Sundholm, Gabriel Merino
Core-electron contributions to the molecular magnetic response. Physical chemistry chemical physics : PCCP 24 (20) (2022)
Atif Mahmood, Maria Dimitrova, Lukas N Wirz, Dage Sundholm
Magnetically Induced Current Densities in Zinc Porphyrin Nanoshells. The journal of physical chemistry. A 126 (12) (2022)
Daniel Blasco, Dage Sundholm
Gold(I)···Lanthanide(III) Bonds in Discrete Heterobimetallic Compounds: A Combined Computational and Topological Study. Inorganic chemistry 61 (50) (2022)
Raphael J F Berger, Maria Dimitrova, Rinat T Nasibullin, Rashid R Valiev, Dage Sundholm
Integration of global ring currents using the Ampère-Maxwell law. Physical chemistry chemical physics : PCCP 24 (2) (2022)
Carlos Orellana, Sebastián Miranda-Rojas, Dage Sundholm, Fernando Mendizábal
Time-dependent density functional theory studies of the optical and electronic properties of the [M 25 (MPA) 18 ] - (M = Au, Ag, MPA = SCH 2 CH 2 COOH) clusters. Physical chemistry chemical physics : PCCP 24 (39) (2022)
Lucie Tučková, Michal Straka, Rashid R Valiev, Dage Sundholm
On the origin of the inverted singlet-triplet gap of the 5th generation light-emitting molecules. Physical chemistry chemical physics : PCCP 24 (31) (2022)
Daniel Blasco, Dage Sundholm
Gold(I)···Lanthanide(III) Bonds in Discrete Heterobimetallic Compounds: A Combined Computational and Topological Study. Inorganic chemistry 61 (50) (2022)
Mesías Orozco-Ic, Dage Sundholm
Magnetic response properties of carbon nano-onions. Physical chemistry chemical physics : PCCP 24 (37) (2022)
Mesías Orozco-Ic, Rashid R Valiev, Dage Sundholm
Non-intersecting ring currents in [12]infinitene. Physical chemistry chemical physics : PCCP 24 (11) (2022)
Li-Xia Bai, Mesías Orozco-Ic, Ximena Zarate, Dage Sundholm, Sudip Pan, Jin-Chang Guo, Gabriel Merino
B 3 Al 4 + : A Three-Dimensional Molecular Reuleaux Triangle. Molecules (Basel, Switzerland) 27 (21) (2022)
Atif Mahmood, Maria Dimitrova, Lukas N Wirz, Dage Sundholm
Magnetically Induced Current Densities in π-Conjugated Porphyrin Nanoballs. The journal of physical chemistry. A 126 (43) (2022)
Rashid R Valiev, Theo Kurten, Lenara I Valiulina, Sergey Yu Ketkov, Viktor N Cherepanov, Maria Dimitrova, Dage Sundholm
Magnetically induced ring currents in metallocenothiaporphyrins. Physical chemistry chemical physics : PCCP 24 (3) (2022)
Daniel Blasco, Dage Sundholm
Gold(I)···Lanthanide(III) Bonds in Discrete Heterobimetallic Compounds: A Combined Computational and Topological Study. Inorganic chemistry 61 (50) (2022)
Glib V Baryshnikov, Rashid R Valiev, Lenara I Valiulina, Alexander E Kurtsevich, Theo Kurtén, Dage Sundholm, Michael Pittelkow, Jinglai Zhang, S Evelyn Stewart
Odd-Number Cyclo[ n ]Carbons Sustaining Alternating Aromaticity. The journal of physical chemistry. A 126 (16) (2022)
Katarzyna Wypych, Maria Dimitrova, Dage Sundholm, Miłosz Pawlicki
Diagnosing Ring Current(s) in Figure-Eight Skeletons: A 3D Through-Space Conjugation in the Two-Loops Crossing. Organic letters 24 (27) (2022)
Mesías Orozco-Ic, Maria Dimitrova, Jorge Barroso, Dage Sundholm, Gabriel Merino
Magnetically Induced Ring-Current Strengths of Planar and Nonplanar Molecules: New Insights from the Pseudo-π Model. The journal of physical chemistry. A 125 (26) (2021)
Rahul Kumar Jinger, Heike Fliegl, Radovan Bast, Maria Dimitrova, Susi Lehtola, Dage Sundholm
Spatial Contributions to Nuclear Magnetic Shieldings. The journal of physical chemistry. A 125 (8) (2021)
Susi Lehtola, Maria Dimitrova, Heike Fliegl, Dage Sundholm
Benchmarking Magnetizabilities with Recent Density Functionals. Journal of chemical theory and computation 17 (3) (2021)
Susi Lehtola, Maria Dimitrova, Heike Fliegl, Dage Sundholm
Correction to "Benchmarking Magnetizabilities with Recent Density Functionals". Journal of chemical theory and computation 17 (7) (2021)
Dage Sundholm, Maria Dimitrova, Raphael J F Berger
Current density and molecular magnetic properties. Chemical communications (Cambridge, England) 57 (93) (2021)
Jonas Greiner, Dage Sundholm
Calculation of vibrationally resolved absorption and fluorescence spectra of the rylenes. Physical chemistry chemical physics : PCCP 22 (4) (2020)
Mesías Orozco-Ic, Christian A Celaya, Dage Sundholm
Calculation of magnetic response properties of tetrazines. RSC advances 10 (31) (2020)
Isaac Benkyi, Olga Staszewska-Krajewska, Daniel T Gryko, Michał Jaszuński, Amnon Stanger, Dage Sundholm
Interplay of Aromaticity and Antiaromaticity in N-Doped Nanographenes. The journal of physical chemistry. A 124 (4) (2020)
José María López-de-Luzuriaga, Miguel Monge, M Elena Olmos, María Rodríguez-Castillo, Inés Soldevilla, Dage Sundholm, Rashid R Valiev
Perhalophenyl Three-Coordinate Gold(I) Complexes as TADF Emitters: A Photophysical Study from Experimental and Computational Viewpoints. Inorganic chemistry 59 (19) (2020)
Glib V Baryshnikov, Rashid R Valiev, Rinat T Nasibullin, Dage Sundholm, Theo Kurtén, S Evelyn Stewart
Aromaticity of Even-Number Cyclo[n]carbons (n = 6-100). The journal of physical chemistry. A 124 (51) (2020)
Isaac Benkyi, Enrico Tapavicza, Heike Fliegl, Dage Sundholm
Calculation of vibrationally resolved absorption spectra of acenes and pyrene. Physical chemistry chemical physics : PCCP 21 (37) (2019)
Krzysztof Bartkowski, Maria Dimitrova, Piotr J Chmielewski, Dage Sundholm, Miłosz Pawlicki
Aromatic and Antiaromatic Pathways in Triphyrin(2.1.1) Annelated with Benzo[b]heterocycles. Chemistry (Weinheim an der Bergstrasse, Germany) 25 (68) (2019)
Glib V Baryshnikov, Rashid R Valiev, Artem V Kuklin, Dage Sundholm, S Evelyn Stewart
Cyclo[18]carbon: Insight into Electronic Structure, Aromaticity, and Surface Coupling. The journal of physical chemistry letters 10 (21) (2019)
Yihan Shao, Ye Mei, Dage Sundholm, Ville R I Kaila
Benchmarking the Performance of Time-Dependent Density Functional Theory Methods on Biochromophores. Journal of chemical theory and computation 16 (1) (2019)
Isaac Benkyi, Dage Sundholm
Aromatic Pathways in Porphycene Derivatives Based on Current-Density Calculations. The journal of physical chemistry. A 123 (1) (2018)
Eelis Solala, Sergio A Losilla, Dage Sundholm, Wen-Hua Xu, Pauli Parkkinen
Optimization of numerical orbitals using the Helmholtz kernel. The Journal of chemical physics 146 (8) (2018)
Carsten Donsbach, Kevin Reiter, Dage Sundholm, Florian Weigend, Stefanie Dehnen
[Hg4 Te8 (Te2 )4 ]8- : A Heavy Metal Porphyrinoid Embedded in a Lamellar Structure. Angewandte Chemie (International ed. in English) 57 (28) (2018)
Rashid R Valiev, V N Cherepanov, Glib V Baryshnikov, Dage Sundholm
First-principles method for calculating the rate constants of internal-conversion and intersystem-crossing transitions. Physical chemistry chemical physics : PCCP 20 (9) (2018)
Rashid R Valiev, Heike Fliegl, Dage Sundholm
Closed-shell paramagnetic porphyrinoids. Chemical communications (Cambridge, England) 53 (71) (2018)
Lukas N Wirz, Maria Dimitrova, Heike Fliegl, Dage Sundholm
Magnetically Induced Ring-Current Strengths in Möbius Twisted Annulenes. The journal of physical chemistry letters 9 (7) (2018)
Pauli Parkkinen, Wen-Hua Xu, Eelis Solala, Dage Sundholm
Density Functional Theory under the Bubbles and Cube Numerical Framework. Journal of chemical theory and computation 14 (8) (2018)
Daniel Rico Del Cerro, Raul Mera-Adasme, Alistair W T King, Jesus E Perea-Buceta, Sami Heikkinen, Tapio Hase, Dage Sundholm, Kristiina Wähälä
On the Mechanism of the Reactivity of 1,3-Dialkylimidazolium Salts under Basic to Acidic Conditions: A Combined Kinetic and Computational Study. Angewandte Chemie (International ed. in English) 57 (36) (2018)
Chandan Kumar, Heike Fliegl, Dage Sundholm
Relation Between Ring Currents and Hydrogenation Enthalpies for Assessing the Degree of Aromaticity. The journal of physical chemistry. A 121 (38) (2017)
Hassan Rabaâ, Mohammad A Omary, Stefan Taubert, Dage Sundholm
Insights into Molecular Structures and Optical Properties of Stacked [Au3(RN═CR')3]n Complexes. Inorganic chemistry 57 (2) (2017)
Dage Sundholm, Markus Rauhalahti, Nergiz Özcan, Raúl Mera-Adasme, Jörg Kussmann, Arne Luenser, Christian Ochsenfeld
Nuclear Magnetic Shieldings of Stacked Aromatic and Antiaromatic Molecules. Journal of chemical theory and computation 13 (5) (2017)