P. C. Hariharan

20.3k citations

58 papers · 18.3k indexed · 3 hit papers · h-index 16

Organic Chemistry top 0.1%
Atomic and Molecular Physics, and Optics top 0.2%
Materials Chemistry top 1%
Inorganic Chemistry top 0.2%
Physical and Theoretical Chemistry top 0.05%

Co-authors: John A. Pople Joyce J. Kaufman Leo Radom Paul v. R. Schleyer Werner Kutzelnigg Wilfried Meyer W. Andrzej Sokalski Szczepan Roszak
Topics: Advanced Chemical Physics Studies (31 papers)Crystallography and molecular interactions (9 papers)Photochemistry and Electron Transfer Studies (9 papers)
Cited by: Physical and Theoretical Chemistry Organic Chemistry Inorganic Chemistry
Journals: Journal of the American Chemical Society The Journal of Chemical Physics The Journal of Physical Chemistry
Partner nations: United States Germany Italy

In The Last Decade

P. C. Hariharan

52 papers receiving 17.9k 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 influence of polarization functions on molecular orbital hydrogenation energies

1973 14.1k citations P. C. Hariharan, John A. Pople Theoretical Chemistry Accounts profile →
Accuracy of AH_nequilibrium geometries by single determinant molecular orbital theory

1974 2.1k citations P. C. Hariharan, John A. Pople profile →
The effect of d-functions on molecular orbital energies for hydrocarbons

1972 1.0k citations P. C. Hariharan, John A. Pople Chemical Physics Letters profile →

Peers

Countries citing papers authored by P. C. Hariharan

Since Specialization

Citations

This map shows the geographic impact of P. C. Hariharan'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. C. Hariharan with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites P. C. Hariharan more than expected).

Fields of papers citing papers by P. C. Hariharan

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by P. C. Hariharan. 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. C. Hariharan. The network helps show where P. C. Hariharan may publish in the future.

Co-authorship network of co-authors of P. C. Hariharan

This figure shows the co-authorship network connecting the top 25 collaborators of P. C. Hariharan. A scholar is included among the top collaborators of P. C. Hariharan 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. C. Hariharan. P. C. Hariharan is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

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20 of 20 papers shown

#	Work	Indexed citations
1	Multireference determinant CI calculations and CASSCF calculations on the CH3-NO2 decomposition pathway of nitromethane 2009 ·International Journal of Quantum Chemistry ·Joyce J. Kaufman,P. C. Hariharan,Cary F. Chabalowski,Matti Hotokka	1
2	Quantum chemical calculations for understanding and predicting toxicity. II. The phosphorylation step in the inhibition of ache by organophosphorus anticholinesterases 2009 ·International Journal of Quantum Chemistry ·(unknown),P. C. Hariharan,W. S. Koski,Joyce J. Kaufman	2
3	NASA/IEEE MSST 2004 Twelfth NASA Goddard Conference on Mass Storage Systems and Technologies in cooperation with the Twenty-First IEEE Conference on Mass Storage Systems and Technologies 2004 ·(unknown),P. C. Hariharan	5
4	The mass storage testing laboratory at GSFC 1998 ·(unknown),(unknown),(unknown),(unknown),(unknown),P. C. Hariharan,(unknown),(unknown),(unknown)	1
5	Fifth NASA Goddard Conference on Mass Storage Systems and Technologies 1996 ·NASA Technical Reports Server (NASA) ·(unknown),P. C. Hariharan	7
6	Simulation of a data archival and distribution system at GSFC 1993 ·(unknown),(unknown),(unknown),P. C. Hariharan,(unknown),(unknown),(unknown)	2
7	MRD‐CI calculations of proton affinity within the ab initio method for approximation of the frozen molecular fragment 1990 ·Journal of Computational Chemistry ·Szczepan Roszak,P. C. Hariharan,Joyce J. Kaufman,W. S. Koski	4
8	Ab-InitioMRD-CI calculations for breaking a chemical bond in a molecule in a crystal or other solid environment I. H3C-NO2 decomposition in nitromethane 1988 ·International Journal of Quantum Chemistry ·Szczepan Roszak,(unknown),P. C. Hariharan,Joyce J. Kaufman	6
9	Energy transfer in Ar-Cl+collisions 1988 ·Physical review. A, General physics ·K. Balasubramanian,(unknown),Joyce J. Kaufman,P. C. Hariharan,W. S. Koski	10
10	Nonempirical Atom‐Atom Potentials for Main Components of Intermolecular Interaction Energy 1986 ·Journal of Computational Chemistry ·W. Andrzej Sokalski,Alfred H. Lowrey,Szczepan Roszak,(unknown),John Blaisdell,P. C. Hariharan,Joyce J. Kaufman	27
11	Energy transfer in Br +-Kr collisions 1986 ·Chemical Physics Letters ·K. Balasubramanian,Joyce J. Kaufman,P. C. Hariharan,W. S. Koski	10
12	Ab initioMODPOT/VRDDO/MERGE calculations on energetic compounds. IV. Nitrocubanes: Mononitro to octanitro quantum chemical calculations and electrostatic molecular potential contour maps 1985 ·International Journal of Quantum Chemistry ·P. C. Hariharan,Joyce J. Kaufman,Alfred H. Lowrey,Richard S. Miller	11
13	Ab initioMODPOT/VRDDO/MERGE calculations on energetic compounds. III. Nitroexplosives: Polyaminopolynitrobenzenes (including DATB, TATB, and tetryl) 1983 ·International Journal of Quantum Chemistry ·P. C. Hariharan,W. S. Koski,Joyce J. Kaufman,Richard S. Miller	6
14	Improved SCF interaction energy decomposition scheme corrected for basis set superposition effect 1983 ·International Journal of Quantum Chemistry ·W. Andrzej Sokalski,Szczepan Roszak,P. C. Hariharan,Joyce J. Kaufman	79
15	Guidelines for development of basis sets for the first‐order intermolecular interaction energy calculations 1983 ·Journal of Computational Chemistry ·W. Andrzej Sokalski,P. C. Hariharan,Joyce J. Kaufman	15
16	Molecular calculations with the nonempiricalab-initioMODPOT/VRDDO/MERGE procedures. XIV. 2,6-dimethyl-N-nitroso morpholine and its ?-OH isomers: Conformations and electrostatic molecular potential contour maps 1981 ·International Journal of Quantum Chemistry ·Alfred H. Lowrey,P. C. Hariharan,Joyce J. Kaufman	1
17	Electrostatic molecular potential contour maps generated from ab initioMODPOT/VRDDO/MERGE wave functions of carcinogenic 3‐methylcholanthrene and its metabolites 1981 ·International Journal of Quantum Chemistry ·P. C. Hariharan,Joyce J. Kaufman,Carlo Petrongolo	4
18	Potential energy curve of 1Σ+ Li+/He 1976 ·Chemical Physics ·P. C. Hariharan,Volker Staemmler	39
19	Molecular orbital theory of the electronic structure of organic compounds. XXII. Structures and stabilities of C3H3+ and C3H+ cations 1976 ·Journal of the American Chemical Society ·Leo Radom,P. C. Hariharan,John A. Pople,Paul v. R. Schleyer	103
20	The influence of polarization functions on molecular orbital hydrogenation energiesbreakdown → 1973 ·Theoretical Chemistry Accounts ·P. C. Hariharan,John A. Pople	14128

About P. C. Hariharan

P. C. Hariharan is a scholar working on Physical and Theoretical Chemistry, Atomic and Molecular Physics, and Optics and Spectroscopy, having authored 58 papers that have together received 18.3k indexed citations. Recurring topics across this work include Advanced Chemical Physics Studies (31 papers), Crystallography and molecular interactions (9 papers) and Photochemistry and Electron Transfer Studies (9 papers). The work is most often cited by research in Physical and Theoretical Chemistry (3.5k citations), Organic Chemistry (8.1k citations) and Inorganic Chemistry (3.7k citations). P. C. Hariharan has collaborated with scholars based in United States, Germany and Italy. Frequent co-authors include John A. Pople, Joyce J. Kaufman, Leo Radom, Paul v. R. Schleyer, Werner Kutzelnigg, Wilfried Meyer, W. Andrzej Sokalski, Szczepan Roszak, William A. Lathan and Volker Staemmler. Their work appears in journals such as Journal of the American Chemical Society, The Journal of Chemical Physics and The Journal of Physical Chemistry.

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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