Quan Manh Phung

ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 25

Top Venues

Journal of chemical theory and computation

Inorganic chemistry

Journal of the American Chemical Society

Physical chemistry chemical physics : PCCP

Nagoya University

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

Affiliation History

Nagoya University

Japan

Postdoctoral researcher :: Institute of Transformative Bio-Molecules (ITbM)

KU Leuven

Belgium

Postdoctoral researcher :: Department of Chemistry

Publications

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)
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)
Yasuyuki Yamada, Yusuke Miwa, Yuka Toyoda, Yoshiki Uno, Quan Manh Phung, Kentaro Tanaka
Effect of porphyrin ligands on the catalytic CH 4 oxidation activity of monocationic μ-nitrido-bridged iron porphyrinoid dimers by using H 2 O 2 as an oxidant. Dalton transactions (Cambridge, England : 2003) 53 (15) (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)
Ho Ngoc Nam, Quan Manh Phung, Pongpol Choeichom, Yusuke Yamauchi, Nagahiro Saito
First-principles studies of enhanced oxygen reduction reactions on graphene- and nitrogen-doped graphene-coated platinum surfaces. Physical chemistry chemical physics : PCCP (2024)
Ravi Nandan, Hiroki Nara, Ho Ngoc Nam, Quan Manh Phung, Quynh Phuong Ngo, Jongbeom Na, Joel Henzie, Yamauchi Yusuke
Tailored Design of Mesoporous Nanospheres with High Entropic Alloy Sites for Efficient Redox Electrocatalysis. Advanced science (Weinheim, Baden-Wurttemberg, Germany) (2024)
Ho Ngoc Nam, Quan Manh Phung, Pongpol Choeichom, Yusuke Yamauchi, Nagahiro Saito
First-principles studies of enhanced oxygen reduction reactions on graphene- and nitrogen-doped graphene-coated platinum surfaces. Physical chemistry chemical physics : PCCP 26 (14) (2024)
Ho Ngoc Nam, Quan Manh Phung, Pongpol Choeichom, Yusuke Yamauchi, Nagahiro Saito
First-principles studies of enhanced oxygen reduction reactions on graphene- and nitrogen-doped graphene-coated platinum surfaces. Physical chemistry chemical physics : PCCP 26 (14) (2024)
Yasuyuki Yamada, Yusuke Miwa, Yuka Toyoda, Yoshiki Uno, Quan Manh Phung, Kentaro Tanaka
Effect of porphyrin ligands on the catalytic CH 4 oxidation activity of monocationic μ-nitrido-bridged iron porphyrinoid dimers by using H 2 O 2 as an oxidant. Dalton transactions (Cambridge, England : 2003) 53 (15) (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)
Yasuyuki Yamada, Yusuke Miwa, Yuka Toyoda, Yoshiki Uno, Quan Manh Phung, Kentaro Tanaka
Effect of porphyrin ligands on the catalytic CH 4 oxidation activity of monocationic μ-nitrido-bridged iron porphyrinoid dimers by using H 2 O 2 as an oxidant. Dalton transactions (Cambridge, England : 2003) (2024)
Giovanni Li Manni, Ignacio Fdez Galván, Ali Alavi, Flavia Aleotti, Francesco Aquilante, Jochen Autschbach, Davide Avagliano, Alberto Baiardi, Jie J Bao, Stefano Battaglia, Letitia Birnoschi, Alejandro Blanco-González, Sergey I Bokarev, Ria Broer, Roberto Cacciari, Paul B Calio, Rebecca K Carlson, Rafael C Couto, Luis Cerdán, Liviu F Chibotaru, Nicholas F Chilton, Jonathan Richard Church, Irene Conti, Sonia Coriani, Juliana Cuéllar-Zuquin, Razan E Daoud, Nike Dattani, Piero Decleva, Coen de Graaf, Mickaël G Delcey, Luca De Vico, Werner Dobrautz, Sijia S Dong, Rulin Feng, Nicolas Ferré, Michael Filatov Gulak, Soumen Ghosh, Marco Garavelli, Leticia González, Yafu Guan, Meiyuan Guo, Matthew R Hennefarth, Matthew R Hermes, Chad E Hoyer, Miquel Huix-Rotllant, Vishal Kumar Jaiswal, Andy Kaiser, Danil S Kaliakin, Marjan Khamesian, Daniel S King, Vladislav Kochetov, Marek Krośnicki, Arpit Arun Kumaar, Ernst Dennis Larsson, Susi Lehtola, Marie-Bernadette Lepetit, Hans Lischka, Pablo López Ríos, Marcus Lundberg, Dongxia Ma, Sebastian Mai, Philipp Marquetand, Isabella C D Merritt, Francesco Montorsi, Maximilian Mörchen, Artur Nenov, Vu Ha Anh Nguyen, Yoshio Nishimoto, Meagan S Oakley, Massimo Olivucci, Markus Oppel, Daniele Padula, Riddhish Pandharkar, Quan Manh Phung, Felix Plasser, Gerardo Raggi, Elisa Rebolini, Markus Reiher, Ivan Rivalta, Daniel Roca-Sanjuán, Thies Romig, Arta Anushirwan Safari, Aitor Sánchez-Mansilla, Andrew M Sand, Igor Schapiro, Thais R Scott, Javier Segarra-Marti, Francesco Segatta, Dumitru-Claudiu Sergentu, Prachi Sharma, Ron Shepard, Yinan Shu, Jakob K Staab, Tjerk P Straatsma, Lasse Kragh Sørensen, Bruno Nunes Cabral Tenorio, Donald G Truhlar, Liviu Ungur, Morgane Vacher, Valera Veryazov, Torben Arne Voß, Oskar Weser, Dihua Wu, Xuchun Yang, David R Yarkony, Chen Zhou, J Patrick Zobel, Roland Lindh
The OpenMolcas Web : A Community-Driven Approach to Advancing Computational Chemistry. Journal of chemical theory and computation (2023)
Ho Ngoc Nam, Quan Manh Phung, Katsuhiro Suzuki, Akira Masago, Hikari Shinya, Tetsuya Fukushima, Kazunori Sato
Insight into Scattering Mechanisms and Transport Properties of AgCuS for Flexible Thermoelectric Applications. ACS applied materials & interfaces (2023)
Quan Manh Phung, Ho Ngoc Nam, Masaaki Saitow
Unraveling the Spin-State Energetics of FeN 4 Complexes with Ab Initio Methods. The journal of physical chemistry. A (2023)
Quan Manh Phung, Ho Ngoc Nam, Abhik Ghosh
Local Oxidation States in {FeNO} 6-8 Porphyrins: Insights from DMRG/CASSCF-CASPT2 Calculations. Inorganic chemistry (2023)
Quan Manh Phung, Yasin Muchammad, Takeshi Yanai, Abhik Ghosh
A DMRG/CASPT2 Investigation of Metallocorroles: Quantifying Ligand Noninnocence in Archetypal 3d and 4d Element Derivatives. JACS Au 1 (12) (2021)
Jeremy U Davis, Quan Manh Phung, Takeshi Yanai, Masahiro Ehara, Thomas Sommerfeld
Lifetimes of Be32- and Mg32- Cluster Dianions. The journal of physical chemistry. A 125 (17) (2021)
Quan Manh Phung, Yuki Komori, Takeshi Yanai, Thomas Sommerfeld, Masahiro Ehara
Combination of a Voronoi-Type Complex Absorbing Potential with the XMS-CASPT2 Method and Pilot Applications. Journal of chemical theory and computation 16 (4) (2020)
Kristine Pierloot, Quan Manh Phung, Abhik Ghosh
Electronic Structure of Neutral and Anionic Iron-Nitrosyl Corrole. A Multiconfigurational and Density Matrix Renormalization Group Investigation. Inorganic chemistry 59 (16) (2020)
Damiano Ricciarelli, Quan Manh Phung, Leonardo Belpassi, Jeremy N Harvey, Paola Belanzoni
Understanding the Reactivity of Mn-Oxo Porphyrins for Substrate Hydroxylation: Theoretical Predictions and Experimental Evidence Reconciled. Inorganic chemistry 58 (11) (2019)
Quan Manh Phung, Kristine Pierloot
Electronic Structure of N-Bridged High-Valent Diiron-Oxo. Chemistry (Weinheim an der Bergstrasse, Germany) 25 (54) (2019)
Quan Manh Phung, Kristine Pierloot
Low-Lying Electromeric States in Chloro-Ligated Iron(IV)-Oxo Porphyrin as a Model for Compound I, Studied with Second-Order Perturbation Theory Based on Density Matrix Renormalization Group. Journal of chemical theory and computation 15 (5) (2019)
Quan Manh Phung, Carlos Martín-Fernández, Jeremy N Harvey, Milica Feldt
Ab Initio Calculations for Spin-Gaps of Non-Heme Iron Complexes. Journal of chemical theory and computation 15 (8) (2019)
Quan Manh Phung, Milica Feldt, Jeremy N Harvey, Kristine Pierloot
Toward Highly Accurate Spin State Energetics in First-Row Transition Metal Complexes: A Combined CASPT2/CC Approach. Journal of chemical theory and computation 14 (5) (2018)
Naheed Bibi, Eduardo Guimarães Ratier de Arruda, Alex Domingo, Aline Alves Oliveira, Carolina Galuppo, Quan Manh Phung, Naíma Mohammed Orra, Fanny Béron, Andrea Paesano, Kristine Pierloot, André Luiz Barboza Formiga
Switching the Spin-Crossover Phenomenon by Ligand Design on Imidazole-Diazineiron(II) Complexes. Inorganic chemistry 57 (23) (2018)

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Publication Activity (10 Years)

Top Topics

Top Venues

Quan Manh Phung