Electronic structure of atoms and molecules articles within Scientific Reports

Featured

• Article
  08 December 2023 | Open Access

  Effect of alkali metals on physical and spectroscopic properties of cellulose

  • Ahmed Refaat
  • , Hanan Elhaes
  •  & Medhat A. Ibrahim

• Article
  28 April 2023 | Open Access

  Laser isotope separation of ²²³Ra

  • M. V. Suryanarayana

• Article
  25 August 2022 | Open Access

  Magic wavelength for a rovibrational transition in molecular hydrogen

  • H. Jóźwiak
  •  & P. Wcisło

• Article
  18 July 2022 | Open Access

  An experimental and theoretical characterization of the electronic structure of doubly ionised disulfur

  • Emelie Olsson
  • , Tarek Ayari
  •  & Raimund Feifel

• Article
  06 July 2022 | Open Access

  Enrichment of ¹⁵⁰Nd for neutrinoless double-beta decay detection

  • M. V. Suryanarayana

• Article
  15 April 2022 | Open Access

  Multiple ionization of iodine for 2.5–5.0 MeV I²²⁺ ions impacting on Fe target

  • Xianming Zhou
  • , Jing Wei
  •  & Yongtao Zhao

• Article
  22 February 2022 | Open Access

  Determinants of interchain coupling properties of Te atomic chains

  • Jie Han
  • , Quan Ming Li
  •  & Wang Gao

• Article
  14 September 2021 | Open Access

  Laser isotope separation of ¹⁷⁶Lu through off-the-shelf lasers

  • M. V. Suryanarayana
  •  & M. Sankari

• Article
  10 June 2021 | Open Access

  Impact of interstitial impurities on the trapping of dislocation loops in tungsten

  • Alexander Bakaev
  • , Giovanni Bonny
  •  & Viktor A. Bakaev

• Article
  10 May 2021 | Open Access

  Laser-induced thermal grating spectroscopy based on femtosecond laser multi-photon absorption

  • Maria Ruchkina
  • , Dina Hot
  •  & Anna-Lena Sahlberg

• Article
  18 November 2020 | Open Access

  Multipole expansion of integral powers of cosine theta

  • E. O. Jobunga
  •  & O. S. Okeyo

• Article
  28 October 2020 | Open Access

  The effect of the electric trapping field on state-selective loading of molecules into rf ion traps

  • Laura Blackburn
  •  & Matthias Keller

• Article
  23 July 2020 | Open Access

  Laser spectroscopy of indium Rydberg atom bunches by electric field ionization

  • A. R. Vernon
  • , C. M. Ricketts
  •  & X. F. Yang

• Article
  02 June 2020 | Open Access

  Neutral excitation density-functional theory: an efficient and variational first-principles method for simulating neutral excitations in molecules

  • Subhayan Roychoudhury
  • , Stefano Sanvito
  •  & David D. O’Regan

• Article
  10 February 2020 | Open Access

  Double and Triple Ionisation of Isocyanic Acid

  • J. H. D. Eland
  • , R. J. Squibb
  •  & R. Feifel

• Article
  27 January 2020 | Open Access

  Coulomb explosion of CD₃I induced by single photon deep inner-shell ionisation

  • M. Wallner
  • , J. H. D. Eland
  •  & R. Feifel

• Article
  20 January 2020 | Open Access

  Sensing mechanism of a ratiometric near-infrared fluorescent chemosensor for cysteine hydropersulfide: Intramolecular charge transfer

  • Xiaofei Sun
  • , Aihua Gao
  •  & Hongxing Zhang

• Article
  29 November 2019 | Open Access

  Parametrization of energy sharing distributions in direct double photoionization of He

  • J. Andersson
  • , S. Zagorodskikh
  •  & R. Feifel

• Article
  05 November 2019 | Open Access

  Control of binding of C₆₀ molecules to the substrate by Coulomb blockade

  • Sergey I. Bozhko
  • , Killian Walshe
  •  & Igor V. Shvets

• Article
  16 May 2019 | Open Access

  Change of the relative line strengths due to the resonance induced population transfer between Fe XVII and FeXVI ions

  • Chensheng Wu
  •  & Xiang Gao

• Article
  05 March 2019 | Open Access

  Unusual properties and potential applications of strain BN-MS₂ (M = Mo, W) heterostructures

  • Jie Su
  • , Jian He
  •  & Yue Hao

• Article
  27 February 2019 | Open Access

  Bipolaron Dynamics in Graphene Nanoribbons

  • Gesiel Gomes Silva
  • , Luiz Antonio Ribeiro Junior
  •  & Geraldo Magela e Silva

• Article
  11 February 2019 | Open Access

  Selective Resonance Photoionization of Odd Mass Zirconium Isotopes Towards Efficient Separation of Radioactive Waste

  • Takashige Fujiwara
  • , Tohru Kobayashi
  •  & Katsumi Midorikawa

• Article
  24 January 2019 | Open Access

  Multi-photon ionisation spectroscopy for rotational state preparation of \({{\bf{N}}}_{{\bf{2}}}^{{\boldsymbol{+}}}\)

  • Amy Gardner
  • , Timothy Softley
  •  & Matthias Keller

• Article
  17 January 2019 | Open Access

  On the Z₁-dependence of electronic stopping in TiN

  • Mauricio A. Sortica
  • , Valentina Paneta
  •  & Daniel Primetzhofer

• Article
  06 November 2018 | Open Access

  Abundance of molecular triple ionization by double Auger decay

  • A. Hult Roos
  • , J. H. D. Eland
  •  & R. Feifel

• Article
  29 March 2018 | Open Access

  Polarized electron beams elastically scattered by atoms as a tool for testing fundamental predictions of quantum mechanics

  • Maurizio Dapor

• Article
  21 February 2018 | Open Access

  Synthetic dimensions in ultracold polar molecules

  • Bhuvanesh Sundar
  • , Bryce Gadway
  •  & Kaden R. A. Hazzard

• Article
  10 January 2018 | Open Access

  Room temperature stable film formation of π-conjugated organic molecules on 3d magnetic substrate

  • Eiichi Inami
  • , Mikio Shimasaki
  •  & Toyo Kazu Yamada

• Article
  22 November 2017 | Open Access

  Au₁₉M (M=Cr, Mn, and Fe) as magnetic copies of the golden pyramid

  • Nguyen Minh Tam
  • , Ngo Tuan Cuong
  •  & Nguyen Thanh Tung

• Article
  17 October 2017 | Open Access

  Cationic double K-hole pre-edge states of CS₂ and SF₆

  • R. Feifel
  • , J. H. D. Eland
  •  & M. Simon

• Article
  14 September 2017 | Open Access

  Analytical Property of Scattering Matrix:Spectroscopy Phenomena and Sharp Overlapping Autoionization Resonances

  • Rui Jin
  • , Xiao-Ying Han
  •  & Jia-Ming Li

• Article
  07 August 2017 | Open Access

  Proton Transfer in Molten Lithium Carbonate: Mechanism and Kinetics by Density Functional Theory Calculations

  • Xueling Lei
  • , Kevin Huang
  •  & Changyong Qin

• Article
  12 July 2017 | Open Access

  Multi-photon absorption enhancement by dual-wavelength double-pulse laser irradiation for efficient dicing of sapphire wafers

  • Mindaugas Gedvilas
  • , Justinas Mikšys
  •  & Gediminas Račiukaitis

• Article
  06 June 2017 | Open Access

  Disentangling Auger decays in O₂ by photoelectron-ion coincidences

  • Xiao-Jing Liu
  • , Christophe Nicolas
  •  & Catalin Miron

• Article
  22 May 2017 | Open Access

  The correlation theory of the chemical bond

  • Szilárd Szalay
  • , Gergely Barcza
  •  & Örs Legeza

• Article
  24 April 2017 | Open Access

  Relation between molecular electronic structure and nuclear spin-induced circular dichroism

  • Petr Štěpánek
  • , Sonia Coriani
  •  & Juha Vaara

• Article
  10 March 2017 | Open Access

  Roles of vacuum tunnelling and contact mechanics in single-molecule thermopower

  • Makusu Tsutsui
  • , Kazumichi Yokota
  •  & Masateru Taniguchi

• Article
  10 February 2017 | Open Access

  Ionization Study of Isomeric Molecules in Strong-field Laser Pulses

  • Stefan Zigo
  • , Anh-Thu Le
  •  & Carlos A. Trallero-Herrero

• Article
  10 January 2017 | Open Access

  In situ Characterization of Nanoparticles Using Rayleigh Scattering

  • Biswajit Santra
  • , Mikhail N. Shneider
  •  & Roberto Car

• Article
  29 November 2016 | Open Access

  Globally accurate potential energy surface for the ground-state HCS(X²A′) and its use in reaction dynamics

  • Yu-Zhi Song
  • , Lu-Lu Zhang
  •  & Qing-Tian Meng

• Article
  10 August 2016 | Open Access

  Carbon nanorings with inserted acenes: breaking symmetry in excited state dynamics

  • R. Franklin-Mergarejo
  • , D. Ondarse Alvarez
  •  & S. Fernandez-Alberti

• Article
  19 July 2016 | Open Access

  An exacting transition probability measurement - a direct test of atomic many-body theories

  • Tarun Dutta
  • , Debashis De Munshi
  •  & Manas Mukherjee

• Article
  11 July 2016 | Open Access

  Fully Mechanically Controlled Automated Electron Microscopic Tomography

  • Jinxin Liu
  • , Hongchang Li
  •  & Gang Ren

• Article
  24 June 2016 | Open Access

  A Synthetic Pseudo-Rh: NO_x Reduction Activity and Electronic Structure of Pd–Ru Solid-solution Alloy Nanoparticles

  • Katsutoshi Sato
  • , Hiroyuki Tomonaga
  •  & Katsutoshi Nagaoka

• Article
  09 May 2016 | Open Access

  Anomalous bond length behavior and a new solid phase of bromine under pressure

  • Min Wu
  • , John S. Tse
  •  & Yuanming Pan

• Article
  03 May 2016 | Open Access

  Accurate Electron Affinity of Iron and Fine Structures of Negative Iron ions

  • Xiaolin Chen
  • , Zhihong Luo
  •  & Chuangang Ning

• Article
  21 April 2016 | Open Access

  New mechanism of kinetic exchange interaction induced by strong magnetic anisotropy

  • Naoya Iwahara
  •  & Liviu F. Chibotaru

• Article
  18 April 2016 | Open Access

  Giant exchange interaction in mixed lanthanides

  • Veacheslav Vieru
  • , Naoya Iwahara
  •  & Liviu F. Chibotaru

• Article
  18 April 2016 | Open Access

  Electron pair escape from fullerene cage via collective modes

  • Michael Schüler
  • , Yaroslav Pavlyukh
  •  & Jamal Berakdar