P.Th. van Duijnen

2.4k citations

38 papers · 2.0k indexed · 1 hit paper · h-index 17

Molecular Biology top 10%
Atomic and Molecular Physics, and Optics top 5%
Materials Chemistry top 10%
Physical and Theoretical Chemistry top 2%
Spectroscopy top 5%

Co-authors: Wim G. J. Hol H. J. C. Berendsen J.A.C. Rullmann B. T. Thole Marcel Swart W. C. Nieuwpoort Wim H. de Jeu Stephen J. Picken
Topics: Spectroscopy and Quantum Chemical Studies (11 papers)Advanced Chemical Physics Studies (11 papers)Molecular Junctions and Nanostructures (6 papers)
Cited by: Physical and Theoretical Chemistry Atomic and Molecular Physics, and Optics Spectroscopy
Journals: Nature The Journal of Chemical Physics Physical review. B, Condensed matter
Partner nations: Netherlands China United Kingdom

In The Last Decade

P.Th. van Duijnen

37 papers receiving 1.9k citations

Hit Papers

align trajectories

What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if it has ≥500 total citations, achieves ≥1.5× the top-1% citation threshold for papers in the same subfield and year (this is the minimum needed to enter the top 1%, not the average within it), or reaches the top citation threshold in at least one of its specific research topics.

The α-helix dipole and the properties of proteins

1978 856 citations Wim G. J. Hol, P.Th. van Duijnen et al. Nature profile →

Peers

Countries citing papers authored by P.Th. van Duijnen

Since Specialization

Citations

This map shows the geographic impact of P.Th. van Duijnen's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by P.Th. van Duijnen with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites P.Th. van Duijnen more than expected).

Fields of papers citing papers by P.Th. van Duijnen

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by P.Th. van Duijnen. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by P.Th. van Duijnen. The network helps show where P.Th. van Duijnen may publish in the future.

Co-authorship network of co-authors of P.Th. van Duijnen

This figure shows the co-authorship network connecting the top 25 collaborators of P.Th. van Duijnen. A scholar is included among the top collaborators of P.Th. van Duijnen based on the total number of citations received by their joint publications. Widths of edges represent the number of papers authors have co-authored together. Node borders signify the number of papers an author published with P.Th. van Duijnen. P.Th. van Duijnen is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

Sort: Min cites: Since: Top N: Style:

20 of 20 papers shown

#	Work	Indexed citations
1	Rapid determination of polarizability exaltation in fullerene-based nanostructures 2014 ·Journal of Materials Chemistry C ·Marcel Swart,P.Th. van Duijnen	12
2	The discrete solvent reaction field model: a quantum mechanics/molecular mechanics model for calculating nonlinear optical properties in the condensed phase 2006 ·Data Archiving and Networked Services (DANS) ·(unknown),P.Th. van Duijnen	1
3	Electronic Structure of Thienylene Vinylene Oligomers: Singlet Excited States, Triplet Excited States, Cations, and Dications 2004 ·The Journal of Physical Chemistry B ·Ferdinand C. Grozema,P.Th. van Duijnen,Laurens D. A. Siebbeles,A. Goossens,Simon W. de Leeuw	35
4	Theoretical and experimental studies of the opto-electronic properties of positively charged oligo(phenylene vinylene)s: Effects of chain length and alkoxy substitution 2002 ·The Journal of Chemical Physics ·Ferdinand C. Grozema,L. P. Candeias,Marcel Swart,P.Th. van Duijnen,J. Wildeman,(unknown),(unknown),John M. Warman	64
5	Implementation of reaction field methods in quantum chemistry computer codes 1995 ·Journal of Computational Chemistry ·Alex H. de Vries,P.Th. van Duijnen,André H. Juffer,J.A.C. Rullmann,(unknown),(unknown),B. T. Thole	87
6	Papain in aqueous solution and the role of Asp-158 in the mechanism: AnAb InitioSCF +DRF +BEM study 1991 ·International Journal of Quantum Chemistry ·(unknown),P.Th. van Duijnen	12
7	The active site of papain 1989 ·Journal of Molecular Biology ·J.A.C. Rullmann,(unknown),P.Th. van Duijnen	71
8	A polarizable water model for calculation of hydration energies 1988 ·Molecular Physics ·J.A.C. Rullmann,P.Th. van Duijnen	118
9	A polarizable water model for calculation of hydration energies 1988 ·Molecular Physics ·J.A.C. Rullmann,P.Th. van Duijnen	3
10	Analysis of discrete and continuum dielectric models; application to the calculation of protonation energies in solution 1987 ·Molecular Physics ·J.A.C. Rullmann,P.Th. van Duijnen	40
11	Do parallel β‐strands have dipole moments? An ab initio molecular‐orbital‐direct reaction field study 1985 ·Biopolymers ·P.Th. van Duijnen,(unknown),B. T. Thole	7
12	A general population analysis preserving the dipole moment 1983 ·Theoretical Chemistry Accounts ·B. T. Thole,P.Th. van Duijnen	73
13	The direct reaction field hamiltonian: Analysis of the dispersion term and application to the water dimer 1982 ·Chemical Physics ·B. T. Thole,P.Th. van Duijnen	74
14	On the inactivity of thiol-subtilisin 1981 ·Biophysical Chemistry ·P.Th. van Duijnen	9
15	On the role of the active site helix in papain, an AB initio molecular orbital study 1979 ·Biophysical Chemistry ·P.Th. van Duijnen,(unknown),Wim G. J. Hol	71
16	The α-helix dipole and the properties of proteinsbreakdown → 1978 ·Nature ·Wim G. J. Hol,P.Th. van Duijnen,H. J. C. Berendsen	856
17	Calibration constant forFe57Mössbauer isomer shifts derived fromab initioself-consistent-field calculations on octahedral FeF6and Fe(CN)6clusters 1978 ·Physical review. B, Condensed matter ·W. C. Nieuwpoort,Doeke Post,P.Th. van Duijnen	53
18	Ab initio molecular orbital studies on the active site of papain 1976 ·Chemical Physics Letters ·Ria Broer,P.Th. van Duijnen,W. C. Nieuwpoort	17
19	Molecular integrals over generalized gaussian basis sets 1974 ·International Journal of Quantum Chemistry ·P.Th. van Duijnen	3
20	Ab initiocalculations with small ellipsoidal gaussian basis sets. II 1971 ·Molecular Physics ·P.Th. van Duijnen,David B. Cook	6

About P.Th. van Duijnen

P.Th. van Duijnen is a scholar working on Physical and Theoretical Chemistry, Atomic and Molecular Physics, and Optics and Biophysics, having authored 38 papers that have together received 2.0k indexed citations. Recurring topics across this work include Spectroscopy and Quantum Chemical Studies (11 papers), Advanced Chemical Physics Studies (11 papers) and Molecular Junctions and Nanostructures (6 papers). The work is most often cited by research in Physical and Theoretical Chemistry (310 citations), Atomic and Molecular Physics, and Optics (648 citations) and Spectroscopy (294 citations). P.Th. van Duijnen has collaborated with scholars based in Netherlands, China and United Kingdom. Frequent co-authors include Wim G. J. Hol, H. J. C. Berendsen, J.A.C. Rullmann, B. T. Thole, Marcel Swart, W. C. Nieuwpoort, Wim H. de Jeu, Stephen J. Picken, Wilfred F. van Gunsteren and Ria Broer. Their work appears in journals such as Nature, The Journal of Chemical Physics and Physical review. B, Condensed matter.

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

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