On the public citation graph

A test of the utility of plane-waves for the study of molecules from first principles

https://doi.org/10.1021/ja00042a026
0 signed · 39 inferred · view as graph

Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.

Is this your work? Sign in with ORCID and put your name on the claims that are yours.
Claim with ORCID
Reference health. See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.
See reference health

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.2139/ssrn.4788357openalex-extracted
Strengthen Metal-O Interaction Toward High Ionic Mobility on Doping Lifepo4
inferred← citeshttps://doi.org/10.1002/0470845015.cla005mopenalex-snapshot
Linear Scaling Methods for Electronic Structure Calculations
inferred← citeshttps://doi.org/10.1002/9780470125847.ch5openalex-snapshot
Density Functional Methods in Biomolecular Modeling
inferred← citeshttps://doi.org/10.1002/adom.202600005openalex-snapshot
C 6 H 7 NCl·X (X = Cl, Br): Outstanding Multifunctional Nonlinear Optical and Birefringent Crystals Enabled by Incorporation of π‐Conjugated Moieties
inferred← citeshttps://doi.org/10.1002/qua.24278openalex-snapshot
Soft–Soft interactions in the protein–protein recognition process: The K+ channel‐charybdotoxin case
inferred← citeshttps://doi.org/10.1002/smll.202406081openalex-snapshot
Defect Engineering in CuS 1‐ x Nanoflowers Enables Low‐Overpotential and Long‐Cycle‐Life of Lithium‐Oxygen Batteries
inferred← citeshttps://doi.org/10.1007/0-306-46931-6_4openalex-snapshot
Computer Simulation for Chemical Systems: from Vacuum to Solution
inferred← citeshttps://doi.org/10.1007/978-1-4899-1319-7_11openalex-snapshot
Density Functional Description of Metal-Metal and Metal-Ligand Bonds
inferred← citeshttps://doi.org/10.1007/978-3-662-09638-3_2openalex-snapshot
Practical Density Functional Approaches in Chemistry and Biochemistry
inferred← citeshttps://doi.org/10.1016/0039-6028(94)90321-2openalex-snapshot
The energetics of NH3 adsorption at the MgO(001) surface
inferred← citeshttps://doi.org/10.1016/0039-6028(95)00677-xopenalex-snapshot
The structure of the stoichiometric and reduced SnO2(110) surface
inferred← citeshttps://doi.org/10.1016/j.apsusc.2025.164414openalex-snapshot
Atomic-scale insights into nonmetallic single-atom catalysis for Li/Na-S batteries
inferred← citeshttps://doi.org/10.1016/j.cej.2025.172448openalex-snapshot
Engineering an interfacially bonded CeO2/ZnIn2S4 heterojunction with spatial charge separation for enhanced benzylic C(sp)–H oxidation
inferred← citeshttps://doi.org/10.1016/j.jcp.2015.02.009openalex-snapshot
A spectral scheme for Kohn–Sham density functional theory of clusters
inferred← citeshttps://doi.org/10.1016/j.jelechem.2024.118371openalex-snapshot
Strengthen metal-O interaction toward high ionic mobility on doping LiFePO4
inferred← citeshttps://doi.org/10.1016/j.mtphys.2025.101704openalex-snapshot
Smoothing Li transport via weak Metal-O bonds for improved ionic mobility in lithium lanthanum titanium oxide
inferred← citeshttps://doi.org/10.1016/s0039-6028(98)00426-9openalex-snapshot
DFT–LDA study of NO adsorption on Rh(110) surface
inferred← citeshttps://doi.org/10.1016/s0166-1280(98)00532-6openalex-snapshot
Density-functional and plane-wave approach to structural properties of poly(p-phenylene) and poly(p-phenylene vinylene)
inferred← citeshttps://doi.org/10.1016/s0922-3487(06)80020-1openalex-snapshot
Chapter 19 Annealing to a moving target: first-principles molecular dynamics
inferred← citeshttps://doi.org/10.1016/s1380-7323(96)80095-1openalex-snapshot
A divide-and-conquer implementation of the linear combination of gaussian-type orbitals density functional (LCGTO-DF) method
inferred← citeshttps://doi.org/10.1021/ja953342ropenalex-snapshot
A First Principles Investigation of the Structure of a Bacteriochlorophyll Crystal
inferred← citeshttps://doi.org/10.1021/ja973519copenalex-snapshot
Transition-Metal Aqua Complexes of 4,6-Dibenzofurandiyl-2,2‘-bis(4-phenyloxazoline). Effective Catalysis in Diels−Alder Reactions Showing Excellent Enantioselectivity, Extreme Chiral Amplification, and High Tolerance to Water, Alcohols, Amines, and Acids
inferred← citeshttps://doi.org/10.1021/ja973762bopenalex-snapshot
Local Reactivity of Charybdotoxin, a K+ Channel Blocker
inferred← citeshttps://doi.org/10.1021/jp021575gopenalex-snapshot
On the Existence of Electronic States Confined by Charged Groups in Proteins
inferred← citeshttps://doi.org/10.1021/jp9528323openalex-snapshot
LDA Predictions of C20 Isomerizations: Neutral and Charged Species
inferred← citeshttps://doi.org/10.1039/c1cp20116fopenalex-snapshot
Influence of the alkyl and alkoxy side chains on the electronic structure and charge-transport properties of polythiophene derivatives
inferred← citeshttps://doi.org/10.1063/1.1738111openalex-snapshot
Basis set effects on frontier molecular orbital energies and energy gaps: A comparative study between plane waves and localized basis functions in molecular systems
inferred← citeshttps://doi.org/10.1063/1.472701openalex-snapshot
Plane waves basis sets in the description of diatomic anions and valence charge density
inferred← citeshttps://doi.org/10.1063/5.0260641openalex-snapshot
Continuum models for metal nanoparticles coupled to real-space real-time time-dependent DFT treatments of molecules
inferred← citeshttps://doi.org/10.1080/0144235x.2016.1192262openalex-snapshot
What is NBO analysis and how is it useful?
inferred← citeshttps://doi.org/10.1080/14786430310001607388openalex-snapshot
Multiscale modelling of nanomechanics and micromechanics: an overview
inferred← citeshttps://doi.org/10.1103/physrevb.48.5031openalex-snapshot
Additional condition for transferability in pseudopotentials
inferred← citeshttps://doi.org/10.1103/physrevb.51.4014openalex-snapshot
Periodic boundary conditions in ab initio calculations
inferred← citeshttps://doi.org/10.1103/physrevb.56.14972openalex-snapshot
Supercell technique for total-energy calculations of finite charged and polar systems
inferred← citeshttps://doi.org/10.1103/physrevb.58.1230openalex-snapshot
Variational plane-wave calculations in adaptive coordinates
inferred← citeshttps://doi.org/10.1103/physrevlett.70.21openalex-snapshot
Hardness and softness in theab initiostudy of polyatomic systems
inferred← citeshttps://doi.org/10.1180/002646198548052openalex-snapshot
Molecular processes on oxide surfaces studied by first-principles calculations
inferred← citeshttps://doi.org/10.3139/146.110892openalex-snapshot
Analysis of size effect and anisotropy of 6H – SiC thermal conductivity
inferred← citeshttps://doi.org/10.3390/inorganics6010031openalex-snapshot
Predicted Siliconoids by Bridging Si9 Clusters through sp3-Si Linkers
Editorial review for independent work. ICSAC — the Institute for Complexity Science and Advanced Computing — runs a structured editorial panel for researchers publishing outside journals, and publishes on CiteStamp rails. Submission is free and goes through ORCID: icsacinstitute.org/submit.