A Combined Charge and Energy Decomposition Scheme for Bond Analysis
Mitoraj, Mariusz P, Michalak, Artur, Ziegler, Tom
Published in Journal of chemical theory and computation (14.04.2009)
Published in Journal of chemical theory and computation (14.04.2009)
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Journal Article
Bonding in Ammonia Borane: An Analysis Based on the Natural Orbitals for Chemical Valence and the Extended Transition State Method (ETS-NOCV)
Mitoraj, Mariusz Paweł
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (29.12.2011)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (29.12.2011)
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Journal Article
Kinetic and Potential Energy Contributions to a Chemical Bond from the Charge and Energy Decomposition Scheme of Extended Transition State Natural Orbitals for Chemical Valence
Sagan, Filip, Mitoraj, Mariusz P
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (30.05.2019)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (30.05.2019)
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Journal Article
Clarifying notes on the bonding analysis adopted by the energy decomposition analysis
Bickelhaupt, F. Matthias, Fonseca Guerra, Célia, Mitoraj, Mariusz, Sagan, F, Michalak, Artur, Pan, Sudip, Frenking, Gernot
Published in Physical chemistry chemical physics : PCCP (06.07.2022)
Published in Physical chemistry chemical physics : PCCP (06.07.2022)
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Journal Article
Substituent Effect on Conformational Preferences in Ground and Excited States of Selected Schiff Bases: An Insight from Theoretical Calculations
Kukułka, Mercedes, Srebro-Hooper, Monika, Mitoraj, Mariusz P
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (09.01.2020)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (09.01.2020)
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Journal Article
Tetrel bonding stabilization of a new coordination polymer constructed from lead() azide and 1-(pyridin-2-yl)ethylidenepicolinohydrazide
Mahmoudi, Ghodrat, Zangrando, Ennio, Gurbanov, Atash V, Eftekhari-Sis, Bagher, Mitoraj, Mariusz P, Sagan, Filip, Safin, Damir A
Published in CrystEngComm (18.09.2023)
Published in CrystEngComm (18.09.2023)
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Journal Article
Ligand-Driven Coordination Sphere-Induced Engineering of Hybride Materials Constructed from PbCl2 and Bis-Pyridyl Organic Linkers for Single-Component Light-Emitting Phosphors
Mahmoudi, Ghodrat, Gurbanov, Atash V, Rodríguez-Hermida, Sabina, Carballo, Rosa, Amini, Mojtaba, Bacchi, Alessia, Mitoraj, Mariusz P, Sagan, Filip, Kukułka, Mercedes, Safin, Damir A
Published in Inorganic chemistry (21.08.2017)
Published in Inorganic chemistry (21.08.2017)
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Journal Article
Theoretical Analysis of the Resonance Assisted Hydrogen Bond Based on the Combined Extended Transition State Method and Natural Orbitals for Chemical Valence Scheme
Kurczab, Rafał, Mitoraj, Mariusz P, Michalak, Artur, Ziegler, Tom
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (26.08.2010)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (26.08.2010)
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Journal Article
Solvent-Induced Formation of Novel Ni(II) Complexes Derived from Bis-Thiosemicarbazone Ligand: An Insight from Experimental and Theoretical Investigations
Mahmoudi, Ghodrat, Babashkina, Maria, Maniukiewicz, Waldemar, Afkhami, Farhad, Nunna, Bharath, Zubkov, Fedor, Ptaszek, Aleksandra, Szczepanik, Dariusz, Mitoraj, Mariusz, Safin, Damir
Published in International journal of molecular sciences (19.05.2021)
Published in International journal of molecular sciences (19.05.2021)
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Journal Article
An extended supramolecular coordination compound produced from PbCl2 and N′-isonicotinoylpicolinohydrazonamide
Garcia-Santos, Isabel, Iglesias-Pereiro, Tamara, Labisbal, Elena, Castiñeiras, Alfonso, Eftekhari-Sis, Bagher, Mahmoudi, Ghodrat, Sagan, Filip, Mitoraj, Mariusz P, Safin, Damir A
Published in CrystEngComm (27.02.2024)
Published in CrystEngComm (27.02.2024)
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