P. C. Hariharan

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Prediction of toxicology and pharmacology based on model toxicophores and pharmacophores using the new TOX‐MATCH–PHARM‐MATCH program

Joyce J. Kaufman, Walter S. Koski, P. C. Hariharan, 2009 .

Sixth Goddard Conference on Mass Storage Systems and Technologies Held in Cooperation with the Fifteenth IEEE Symposium on Mass Storage Systems

P. C. Hariharan, Benjamin Kobler, 1998 .

21st IEEE Conference on Mass Storage Systems and Technologies / 12th NASA Goddard Conference on Mass Storage Systems and Technologies, Greenbelt, Maryland, USA, April 13-16, 2004

P. C. Hariharan, Ben Kobler, 2004, MSST.

The mass storage testing laboratory at GSFC

David Michaud, Jeanne Behnke, P. C. Hariharan, 1998 .

A new computational strategy for ab-initio MRD-CI calculations for breaking a chemical bond in a molecule in a crystal or other solid environment

Joyce J. Kaufman, P. C. Hariharan, Szczepan Roszak, 1989, Comput. Chem..

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

P. C. Hariharan, Ben Kobler, 2004 .

Fifth NASA Goddard Conference on Mass Storage Systems and Technologies. Volume 2

P. C. Hariharan, Benjamin Kobler, 1996 .

Architecture and design of storage and data management for the NASA Earth observing system Data and Information System (EOSDIS)

P. C. Hariharan, Ben Kobler, John Berbert, 1995, Proceedings of IEEE 14th Symposium on Mass Storage Systems.

The Third NASA Goddard Conference on Mass Storage Systems and Technologies

P. C. Hariharan, Benjamin Kobler, 2019 .

Goddard Conference on Mass Storage Systems and Technologies, Volume 1

P. C. Hariharan, Ben Kobler, 1993 .

Evolution of Mass Storage Systems : Issues and Challenges

P. C. Hariharan, 2001 .

NSSDC Conference on Mass Storage Systems and Technologies for Space and Earth Science Applications, volume 2

P. C. Hariharan, Benjamin Kobler, L. G. Blasso, 1992 .

Simulation of a data archival and distribution system at GSFC

P. C. Hariharan, Jean-Jacques Bedet, Ben Kobler, 1993 .

The influence of polarization functions on molecular orbital hydrogenation energies

P. C. Hariharan, J. Pople, J. A. Pople, 1973 .

The effect of d-functions on molecular orbital energies for hydrocarbons

P. C. Hariharan, J. Pople, J. A. Pople, 1972 .

Accuracy of AH n equilibrium geometries by single determinant molecular orbital theory

P. C. Hariharan, John A. Pople, J. Pople, 1974 .

Improved SCF interaction energy decomposition scheme corrected for basis set superposition effect

Joyce J. Kaufman, P. C. Hariharan, Szczepan Roszak, 1983 .

Electrostatic Molecular Potential Contour Maps from Ab-initio Calculations. 1. Biologically Significant Molecules. 2. Mechanism of Cationic Polymerization

Joyce J. Kaufman, P. C. Hariharan, Carlo Petrongolo, 1981 .

New Optimal Strategies for Ab-Initio Quantum Chemical Calculations on Large Drugs, Carcinogens, Teratogens, and Biomolecules

Joyce J. Kaufman, P. C. Hariharan, H. Popkie, 1979 .

Ab initioMODPOT/VRDDO/MERGE calculations on energetic compounds. IV. Nitrocubanes: Mononitro to octanitro quantum chemical calculations and electrostatic molecular potential contour maps

Joyce J. Kaufman, P. C. Hariharan, Alfred H. Lowrey, 1985 .

Library of cumulative atomic multipole moments. I. Nucleic acid bases

Joyce J. Kaufman, P. C. Hariharan, W. A. Sokalski, 1987 .

Theoretical and quantum prediction of toxic effects.

P. C. Hariharan, W. S. Koski, J J Kaufman, 1984, Drug metabolism reviews.

AB‐INITIO MODPOT/VRDDO/MERGE CALCULATIONS ON LARGE BIOMEDICAL MOLECULES AND ELECTROSTATIC MOLECULAR POTENTIAL CONTOUR MAPS *

P. C. Hariharan, C. Petrongolo, J. J. Kaufman, 1981 .

ENERGY TRANSFER IN Br +-Kr COLLISIONS

P. C. Hariharan, K. Balasubramanian, W. S. Koski, 1986 .

Molecular orbital theory of the electronic structure of organic compounds. XIX. Geometries and energies of C3H5 cations. Energy relations among allyl, vinyl, and cyclopropyl cations

P. C. Hariharan, L. Radom, J. Pople, 1973 .

Molecular orbital theory of the electronic structure of organic compounds. XX. Protonated cyclopropane cations with a polarized basis set

P. C. Hariharan, L. Radom, J. Pople, 1974 .

Procedure supplementing SCF interaction energies by dispersion term evaluated in dimer basis set within variation-perturbation approach

P. C. Hariharan, W. Sokalski, S. Roszak, 1986 .

Multireference determinant CI calculations and CASSCF calculations on the CH3—NO2 decomposition pathway of nitromethane

P. C. Hariharan, C. Chabalowski, M. Hotokka, 2009 .

Ab‐initioMRD–CI calculations on a CNO2 decomposition pathway of nitrobenzene

P. C. Hariharan, S. Roszak, M. V. van Hemert, 1987 .

Refined abinitio calculation of the potential energy surface of the He–H2 interaction with special emphasis to the region of the van der Waals minimum

P. C. Hariharan, W. Kutzelnigg, W. Meyer, 1980 .

Comparison of ab initio MODPOT interaction energy components against large basis set MBPT (4) calculations for nitromethane dimer

P. C. Hariharan, W. Sokalski, J. J. Kaufman, 1987 .

MRD‐CI calculations of proton affinity within the ab initio method for approximation of the frozen molecular fragment

P. C. Hariharan, W. S. Koski, S. Roszak, 1990 .

Ab Intitio MRD-CI calculations on protonated cyclic ethers. I. Protonation pathways involve multipotential surfaces (protonation of oxetane). II. Differences from SCF in dominant configurations upon opening non-protonated oxirane rings (epoxides)

P. C. Hariharan, P. Keegstra, S. Roszak, 1987 .

Potential energy curve of 1Σ+ Li+/He

P. C. Hariharan, V. Staemmler, 1976 .

Molecular orbital theory of simple carbonium ions

P. C. Hariharan, J. Pople, W. A. Lathan, 1972 .

Guidelines for development of basis sets for the first‐order intermolecular interaction energy calculations

P. C. Hariharan, W. Sokalski, J. J. Kaufman, 1983 .

Ab initio MRD-CI calculations for breaking a chemical bond in a molecule in a crystal or other solid environment. III. Me2NNO2 decomposition of dimethylnitramine in a large crystalline environment

P. C. Hariharan, P. Keegstra, S. Roszak, 1991 .

Ab‐Initio MRD‐CI calculations for breaking a chemical bond in a molecule in a crystal or other solid environment. II.H3C—NO2 decomposition of nitromethane in a nitromethane crystal with voids

P. C. Hariharan, P. Keegstra, S. Roszak, 1989 .

Ab‐Initio MRD‐CI calculations for breaking a chemical bond in a molecule in a crystal or other solid environment I. H3C‐NO2 decomposition in nitromethane

P. C. Hariharan, P. Keegstra, S. Roszak, 1988 .

Ab initio MRD-CI calculations for the propagation step of cationic polymerization of oxetanes based on localized orbitals

P. C. Hariharan, P. Keegstra, J. J. Kaufman, 1987 .

Ab-initio electrostatic molecular potential contour maps for initiation step and Ab-Initio MRD-CI calculations for propagation step of cationic polymerization of oxetanes

P. C. Hariharan, P. Keegstra, S. Roszak, 1986 .

Basis set superposition effect on difference electrostatic molecular potential contour maps

P. C. Hariharan, C. Petrongolo, W. Sokalski, 1980 .

Molecular orbital theory of the electronic structure of organic compounds. XXII. Structures and stabilities of C3H3+ and C3H+ cations

P. C. Hariharan, L. Radom, J. Pople, 1976 .

A self-consistent field interaction energy decomposition study of 12 hydrogen-bonded dimers

P. C. Hariharan, W. Sokalski, J. J. Kaufman, 1983 .

Ab initio MRD CI ground and excited state potential curves for addition of O to H2CCH2 and oxirane formation and decomposition

P. C. Hariharan, R. Buenker, S. Roszak, 1990 .

Nonempirical Atom‐Atom Potentials for Main Components of Intermolecular Interaction Energy

P. C. Hariharan, J. Blaisdell, W. Sokalski, 1986 .

Crystal structure studies using ab-initio potential functions from partitioned ab-initio MODPOT/VRDDO SCF energy calculations. I. N2 and CO2 test cases. II. Nitromethane, CH3NO2

P. C. Hariharan, W. S. Koski, W. Sokalski, 2009 .

Molecular calculations with the nonempirical ab-initioMODPOT/VRDDO/MERGE procedures. XIV. 2,6-dimethyl-N-nitroso morpholine and its α-OH isomers: Conformations and electrostatic molecular potential contour maps

P. C. Hariharan, A. Lowrey, J. J. Kaufman, 1981 .

Ab-Initio Multireference Determinant Configuration Interaction (MRD-CI) and CASSCF Calculations on Energetic Compounds

P. C. Hariharan, C. Chabalowski, R. Buenker, 1986 .

An ab initio method for approximation of the frozen molecular fragment

P. C. Hariharan, S. Roszak, J. J. Kaufman, 1990 .

Structures and stabilities of three-membered rings from ab initio molecular orbital theory

P. C. Hariharan, L. Radom, J. Pople, 1973 .

The variational function for H2+ (first excited state)

P. C. Hariharan, P. Khubchandani, 1968 .

Multireference coupled cluster and multireference configuration interaction studies of the potential surfaces for deprotonation of NH + 4

P. C. Hariharan, U. Kaldor, S. Roszak, 1989 .

Ab Initio MODPOT/VRDDO/MERGE calculations on energetic compounds. II. Nitroexplosives: RDX and α‐, β‐ and δ‐HMX

P. C. Hariharan, W. S. Koski, Richard S. Miller, 2009 .

Nonempirical ab initio MODPOT, VRDDO, and MODPOT/VRDDO calculations. X. The attack of the simplest ultimate carcinogen, CH3+, on guanine by a MERGE technique and a possible fundamental difference between methylating versus ethylating ultimate carcinogens

P. C. Hariharan, J. J. Kaufman, H. Popkie, 2009 .