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Chemistry

D-Index
44
Citations
10488
World Ranking
16668
National Ranking
918

Overview

Nicholas A. Besley was affiliated with the University of Nottingham in the United Kingdom. Their research primarily focused on fields intersecting Physics and Astronomy as well as Materials Science. Within these broad disciplines, Besley contributed notably to subfields including Materials Chemistry, Atomic and Molecular Physics and Optics, Radiation, Spectroscopy, and Electrical and Electronic Engineering.

The main topics of Besley's scientific work encompassed Advanced Chemical Physics Studies, X-ray Spectroscopy and Fluorescence Analysis, Mass Spectrometry Techniques and Applications, X-ray Diffraction in Crystallography, Crystallization and Solubility Studies, Electron and X-Ray Spectroscopy Techniques, and Luminescence and Fluorescent Materials.

Besley published in several recurrent venues during their career. Key publication venues included The Cambridge Structural Database, which featured three of their works, Physical Chemistry Chemical Physics with two publications, and singular works in Wiley Interdisciplinary Reviews Computational Molecular Science, Accounts of Chemical Research, and Applied Surface Science.

Noteworthy recent papers authored by Besley are:

  • Modeling of the spectroscopy of core electrons with density functional theory, 2021, Wiley Interdisciplinary Reviews Computational Molecular Science
  • Density Functional Theory Based Methods for the Calculation of X-ray Spectroscopy, 2020, Accounts of Chemical Research

Besley collaborated frequently with several researchers, reflecting a network of consistent academic partnerships. Frequent coauthors included Michael W. George, Barry Mangham, Magnus W. D. Hanson-Heine, E. Stephen Davies, and Alisdair Wriglesworth, among whom multiple joint publications were recorded.

Their scientific contributions addressed complex problems in spectroscopy and materials chemistry, utilizing theoretical and computational approaches such as density functional theory (DFT) to analyze and predict chemical and physical properties related to core electron behavior and X-ray spectroscopy techniques.

Best Publications

  • Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

    Yihan Shao;Zhengting Gan;Evgeny Epifanovsky;Andrew T. B. Gilbert

  • Advances in methods and algorithms in a modern quantum chemistry program package

    Yihan Shao;Laszlo Fusti Molnar;Yousung Jung;Jörg Kussmann

  • Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

    Evgeny Epifanovsky;Andrew T.B. Gilbert;Andrew T.B. Gilbert;Xintian Feng;Xintian Feng;Joonho Lee

  • Q-Chem 2.0: a high-performance ab initio electronic structure program package

    Jing Kong;Christopher A. White;Christopher A. White;Anna I. Krylov;Anna I. Krylov;David Sherrill;David Sherrill

  • Self-consistent field calculations of excited states using the maximum overlap method (MOM).

    Andrew T. B. Gilbert;Nicholas A. Besley;Peter M. W. Gill

  • Direct transformation of graphene to fullerene

    Andrey Chuvilin;Andrey Chuvilin;Ute Kaiser;Elena Bichoutskaia;Nicholas A. Besley

  • Self-consistent-field calculations of core excited states.

    Nicholas A. Besley;Andrew T. B. Gilbert;Peter M. W. Gill

  • Time-dependent density functional theory calculations of the spectroscopy of core electrons

    Nicholas A. Besley;Frans A. Asmuruf

  • Time-dependent density functional theory calculations of near-edge X-ray absorption fine structure with short-range corrected functionals

    Nicholas A. Besley;Michael J. G. Peach;David J. Tozer

  • X-ray and Electron Spectroscopy of Water

    Thomas Fransson;Yoshihisa Harada;Nobuhiro Kosugi;Nicholas A. Besley

  • Theoretical Studies toward Quantitative Protein Circular Dichroism Calculations

    Nicholas A. Besley;Jonathan D. Hirst

  • Probing the reactivity of photoinitiators for free radical polymerization: time-resolved infrared spectroscopic study of benzoyl radicals.

    Christopher S Colley;David C Grills;Nicholas A Besley;Steffen Jockusch

  • Modeling of the spectroscopy of core electrons with density functional theory

    Nicholas A. Besley

  • Ab Initio Study of the Electronic Spectrum of Formamide with Explicit Solvent

    Nicholas A. Besley and;Jonathan D. Hirst

  • Density Functional Theory Based Methods for the Calculation of X-ray Spectroscopy.

    Nicholas A. Besley

  • Reactions of the inner surface of carbon nanotubes and nanoprotrusion processes imaged at the atomic scale

    Thomas W. Chamberlain;Jannik C. Meyer;Jannik C. Meyer;Johannes Biskupek;Jens Leschner

  • Equation of motion coupled cluster theory calculations of the X-ray emission spectroscopy of water

    Nicholas A. Besley

  • Time-Dependent Density Functional Theory Study of the X-ray Absorption Spectroscopy of Acetylene, Ethylene, and Benzene on Si(100)

    Nicholas A. Besley;Adam Noble

  • Ab Initio Study of the Effect of Solvation on the Electronic Spectra of Formamide and N-Methylacetamide

    Nicholas A. Besley;Jonathan D. Hirst

  • Calculation of near-edge X-ray absorption fine structure with the CIS(D) method

    Frans A. Asmuruf;Nicholas A. Besley

  • A family of intracules, a conjecture and the electron correlation problem

    Peter M. W. Gill;Deborah L. Crittenden;Darragh P. O’Neill;Nicholas A. Besley

  • A sequential molecular mechanics/quantum mechanics study of the electronic spectra of amides.

    Nicholas A. Besley;Mark T. Oakley;and Alexander J. Cowan;Jonathan D. Hirst

Frequent Co-Authors

Michael W. George
Michael W. George University of Nottingham
Jonathan D. Hirst
Jonathan D. Hirst University of Nottingham
Peter Gill
Peter Gill Oslo University Hospital
Martin Head-Gordon
Martin Head-Gordon University of California, Berkeley
Peter H. Beton
Peter H. Beton University of Nottingham
Michael Towrie
Michael Towrie Rutherford Appleton Laboratory
Anna I. Krylov
Anna I. Krylov University of Southern California
Takashi Taniguchi
Takashi Taniguchi National Institute for Materials Science
Kenji Watanabe
Kenji Watanabe National Institute for Materials Science
Christian Ochsenfeld
Christian Ochsenfeld Ludwig-Maximilians-Universität München

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