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Assessment of the “6-31+G + LANL2DZ” Mixed Basis Set Coupled with Density Functional Theory Methods and the Effective Core Potential: Prediction of Heats of Formation and Ionization Potentials for First-Row-Transition-Metal Complexes
Yang, Yue, Weaver, Michael N, Merz, Kenneth M
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (10.09.2009)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (10.09.2009)
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Theoretical and experimental findings regarding the electroanalysis of dienestrol in natural waters using a silver nanoparticles/single-walled carbon nanotubes-based amperometric sensor
Bezerra, Ana P.F., Santos, André O., Abrantes-Coutinho, Vanessa E., Silva Filho, Ernani D., Soares, João M., Castro, Suely S.L., Oliveira, Thiago M.B.F.
Published in Journal of electroanalytical chemistry (Lausanne, Switzerland) (01.01.2021)
Published in Journal of electroanalytical chemistry (Lausanne, Switzerland) (01.01.2021)
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Ionization Potential Depression in Partially Ionized Hydrogen
Kurbanov, F., Mukhametkarimov, Ye.S., Davletov, A.E.
Published in IEEE conference record-abstracts - IEEE International Conference on Plasma Science (06.12.2020)
Published in IEEE conference record-abstracts - IEEE International Conference on Plasma Science (06.12.2020)
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Electronegativity and its multiple faces: persistence and measurement
Ruthenberg, Klaus, González, Juan Camilo Martínez
Published in Foundations of chemistry (01.04.2017)
Published in Foundations of chemistry (01.04.2017)
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Comment on “Ionization potentials and electron affinities from the extended Koopmans’ theorem applied to energy derivative density matrices: The EKTMPn and EKTQCISD methods” [J. Chem. Phys. 107 , 6804 (1997)]
Chen, Edward S., Chen, Edward C. M., Kozanecki, N.
Published in The Journal of chemical physics (22.05.1998)
Published in The Journal of chemical physics (22.05.1998)
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Binding Energies in Atomic Negative Ions: II
Hotop, H., Lineberger, W. C.
Published in Journal of physical and chemical reference data (01.07.1985)
Published in Journal of physical and chemical reference data (01.07.1985)
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Sequence and conformation effects on ionization potential and charge distribution of homo-nucleobase stacks using M06-2X hybrid density functional theory calculations
Rooman, Marianne, Wintjens, René
Published in Journal of biomolecular structure & dynamics (03.04.2014)
Published in Journal of biomolecular structure & dynamics (03.04.2014)
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Resonantly enhanced photoionization in correlated three-atomic systems
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Quasiparticle and Optical Spectroscopy of Organic Semiconductors Pentacene and PTCDA from First Principles
Sharifzadeh, Sahar, Biller, Ariel, Kronik, Leeor, Neaton, Jeffrey B
Published in arXiv.org (01.02.2012)
Published in arXiv.org (01.02.2012)
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Calculation of ionization potential and chemical hardness: A comparative study of different methods
Shankar, R., Senthilkumar, K., Kolandaivel, P.
Published in International journal of quantum chemistry (15.03.2009)
Published in International journal of quantum chemistry (15.03.2009)
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Element Abundances: A New Diagnostic for the Solar Wind
Laming, J. Martin, Vourlidas, Angelos, Korendyke, Clarence, Chua, Damien, Cranmer, Steven R., Ko, Yuan-Kuen, Kuroda, Natsuha, Provornikova, Elena, Raymond, John C., Raouafi, Nour-Eddine, Strachan, Leonard, Tun-Beltran, Samuel, Weberg, Micah, Wood, Brian E.
Published in The Astrophysical journal (10.07.2019)
Published in The Astrophysical journal (10.07.2019)
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