Peter Schwerdtfeger

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 27

Top Topics

Density Functional Theory

Energy Transfer

Top Venues

Physical chemistry chemical physics : PCCP

Angewandte Chemie (International ed. in English)

The journal of physical chemistry. A

The journal of physical chemistry letters

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

Publications

Bojana D Ostojić, Branislav Stanković, Dragana S Đorđević, Peter Schwerdtfeger
Reduction of CO 2 in the presence of light via excited-state hydride transfer reaction in a NADPH-inspired derivative. Physical chemistry chemical physics : PCCP (2024)
Shaun Cooper, Andres Robles-Navarro, Odile R Smits, Peter Schwerdtfeger
From Hard to Soft Dense Sphere Packings: The Cohesive Energy of Barlow Structures Using Exact Lattice Summations for a General Lennard-Jones Potential. The journal of physical chemistry letters (2024)
Shaun Cooper, Andres Robles-Navarro, Odile R Smits, Peter Schwerdtfeger
From Hard to Soft Dense Sphere Packings: The Cohesive Energy of Barlow Structures Using Exact Lattice Summations for a General Lennard-Jones Potential. The journal of physical chemistry letters 15 (32) (2024)
Bojana D Ostojić, Branislav Stanković, Dragana S Đorđević, Peter Schwerdtfeger
Reduction of CO 2 in the presence of light via excited-state hydride transfer reaction in a NADPH-inspired derivative. Physical chemistry chemical physics : PCCP (2024)
Peter Schwerdtfeger, David J Wales
100 Years of the Lennard-Jones Potential. Journal of chemical theory and computation (2024)
Peter Schwerdtfeger, David J Wales
100 Years of the Lennard-Jones Potential. Journal of chemical theory and computation 20 (9) (2024)
Bojana D Ostojić, Branislav Stanković, Dragana S Đorđević, Peter Schwerdtfeger
Reduction of CO 2 in the presence of light via excited-state hydride transfer reaction in a NADPH-inspired derivative. Physical chemistry chemical physics : PCCP 26 (25) (2024)
Peter Schwerdtfeger
Nuclear Quadrupole Splittings in Rotational Spectra for the Possible Detection of Fine Structure Constant Variations: The Diatomic Gold Halides and Gold Hydride as Case Studies. The journal of physical chemistry. A (2023)
Eduardus, Yuval Shagam, Arie Landau, Shirin Faraji, Peter Schwerdtfeger, Anastasia Borschevsky, Lukáš F Pašteka
Large vibrationally induced parity violation effects in CHDBrI . Chemical communications (Cambridge, England) (2023)
Marit R Fiechter, Pi A B Haase, Nidal Saleh, Pascale Soulard, Benoît Tremblay, Remco W A Havenith, Rob G E Timmermans, Peter Schwerdtfeger, Jeanne Crassous, Benoît Darquié, Lukáš F Pašteka, Anastasia Borschevsky
Toward Detection of the Molecular Parity Violation in Chiral Ru(acac) 3 and Os(acac) 3 . The journal of physical chemistry letters 13 (42) (2022)
Bojana D Ostojić, Branislav Stanković, Dragana S Đorđević, Peter Schwerdtfeger
Light-driven reduction of CO 2 : thermodynamics and kinetics of hydride transfer reactions in benzimidazoline derivatives. Physical chemistry chemical physics : PCCP 24 (34) (2022)
Paul Jerabek, Antony Burrows, Peter Schwerdtfeger
Solving a problem with a single parameter: a smooth bcc to fcc phase transition for metallic lithium. Chemical communications (Cambridge, England) 58 (96) (2022)
Andrew M Wibowo-Teale, Trygve Helgaker, Andreas Savin, Carlo Adamo, Bálint Aradi, Alexei V Arbuznikov, Paul W Ayers, Evert Jan Baerends, Vincenzo Barone, Patrizia Calaminici, Eric Cancès, Emily A Carter, Pratim Kumar Chattaraj, Henry Chermette, Ilaria Ciofini, T Daniel Crawford, Frank de Proft, John F Dobson, Claudia Draxl, Thomas Frauenheim, Emmanuel Fromager, Patricio Fuentealba, Soumen Ghosh, Giulia Galli, Jiali Gao, Paul Geerlings, Nikitas I Gidopoulos, Peter M W Gill, Paola Gori-Giorgi, Andreas Görling, Timothy Gould, Stefan Grimme, Oleg V Gritsenko, Hans Jørgen Aagaard Jensen, Erin R Johnson, Robert O Jones, Martin Kaupp, Andreas M Köster, Leeor Kronik, Anna I Krylov, Simen Kvaal, Andre Laestadius, Mel Levy, Mathieu Lewin, Shubin Liu, Pierre-François Loos, Neepa T Maitra, Frank Neese, John P Perdew, Katarzyna Pernal, Pascal Pernot, Piotr Piecuch, Elisa Rebolini, Lucia Reining, Pina Romaniello, Adrienn Ruzsinszky, Dennis R Salahub, Matthias Scheffler, Peter Schwerdtfeger, Viktor N Staroverov, Jianwei Sun, Erik I Tellgren, David J Tozer, Samuel B Trickey, Carsten A Ullrich, Alberto Vela, Giovanni Vignale, Tomasz Adam Wesołowski, Xin Xu, Weitao Yang
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science. Physical chemistry chemical physics : PCCP 24 (47) (2022)
Paul Jerabek, Archa Santhosh, Peter Schwerdtfeger
Relativistic Effects Stabilize Unusual Gold(II) Sulfate Structure via Aurophilic Interactions. Inorganic chemistry 61 (33) (2022)
Sarah Löffelsender, Peter Schwerdtfeger, Stefan Grimme, Jan-Michael Mewes
It's Complicated: On Relativistic Effects and Periodic Trends in the Melting and Boiling Points of the Group 11 Coinage Metals. Journal of the American Chemical Society 144 (1) (2021)
Peter Schwerdtfeger, Antony Burrows, Odile R Smits
The Lennard-Jones Potential Revisited: Analytical Expressions for Vibrational Effects in Cubic and Hexagonal Close-Packed Lattices. The journal of physical chemistry. A 125 (14) (2021)
Jan-Michael Mewes, Peter Schwerdtfeger
Exclusively Relativistic: Periodic Trends in the Melting and Boiling Points of Group 12. Angewandte Chemie (International ed. in English) 60 (14) (2021)
Peter Schwerdtfeger, Odile R Smits, Pekka Pyykkö
The periodic table and the physics that drives it. Nature reviews. Chemistry 4 (7) (2020)
Odile R Smits, Jan-Michael Mewes, Paul Jerabek, Peter Schwerdtfeger
Oganesson: A Noble Gas Element That Is Neither Noble Nor a Gas. Angewandte Chemie (International ed. in English) 59 (52) (2020)
Jan-Michael Mewes, Odile R Smits, Georg Kresse, Peter Schwerdtfeger
Copernicium: A Relativistic Noble Liquid. Angewandte Chemie (International ed. in English) 58 (50) (2019)
Paul Jerabek, Odile R Smits, Jan-Michael Mewes, Kirk A Peterson, Peter Schwerdtfeger
Correction to "Solid Oganesson via a Many-Body Interaction Expansion Based on Relativistic Coupled-Cluster Theory and from Plane-Wave Relativistic Density Functional Theory". The journal of physical chemistry. A 123 (38) (2019)
Paul Jerabek, Odile R Smits, Jan-Michael Mewes, Kirk A Peterson, Peter Schwerdtfeger
Solid Oganesson via a Many-Body Interaction Expansion Based on Relativistic Coupled-Cluster Theory and from Plane-Wave Relativistic Density Functional Theory. The journal of physical chemistry. A 123 (19) (2019)
Jan-Michael Mewes, Paul Jerabek, Odile R Smits, Peter Schwerdtfeger
Oganesson Is a Semiconductor: On the Relativistic Band-Gap Narrowing in the Heaviest Noble-Gas Solids. Angewandte Chemie (International ed. in English) 58 (40) (2019)
Odile R Smits, Paul Jerabek, Elke Pahl, Peter Schwerdtfeger
A Hundred-Year-Old Experiment Re-evaluated: Accurate Ab Initio Monte Carlo Simulations of the Melting of Radon. Angewandte Chemie (International ed. in English) 57 (31) (2018)
Paul Jerabek, Peter Schwerdtfeger, Gernot Frenking
Dative and electron-sharing bonding in transition metal compounds. Journal of computational chemistry 40 (1) (2018)
Paul Jerabek, Lisa Vondung, Peter Schwerdtfeger
Tipping the Balance between Ligand and Metal Protonation due to Relativistic Effects: Unusually High Proton Affinity in Gold(I) Pincer Complexes. Chemistry (Weinheim an der Bergstrasse, Germany) 24 (23) (2018)
Paul Jerabek, Beatriz von der Esch, Hubert Schmidbaur, Peter Schwerdtfeger
Influence of Relativistic Effects on Bonding Modes in M(II) Dinuclear Complexes (M = Au, Ag, and Cu). Inorganic chemistry 56 (23) (2017)