S. Parthiban

发表

Assessment of W1 and W2 theories for the computation of electron affinities, ionization potentials, heats of formation, and proton affinities

Jan M. L. Martin, S. Parthiban, 2001, physics/0101072.

Theoretical study of XONO2 (X=Br, OBr, O2Br): Implications for stratospheric bromine chemistry

Timothy J. Lee, S. Parthiban, 2000 .

W1 and W2 Theories, and Their Variants: Thermochemistry in the kJ/mol Accuracy Range

Jan M. L. Martin, S. Parthiban, 2005, physics/0511008.

Ab initio investigation of the atmospheric molecule bromine nitrate: Equilibrium structure, vibrational spectrum, and heat of formation

Timothy J. Lee, S. Parthiban, 1998 .

Structures, energies and vibrational frequencies of dinitrogen pentoxide

R. Sumathi, B. N. Raghunandan, S. Parthiban, 1996 .

Magneto-convective Al2O3/Cu–Water hybrid nanofluid flow in a heated enclosure containing non-Darcy porous medium: lattice Boltzmann simulation

V. Prasad, S. Parthiban, 2022, The European Physical Journal Plus.

Discovery of the First Metallaquinone

L. Shimon, Jan M. L. Martin, Yehoshoa Ben‐David, 2000 .

Adiabatic electron affinity and ionization potential for BrO radical

Timothy J. Lee, J. S. Francisco, S. Parthiban, 1998 .

The heats of formation of the haloacetylenes XCCY [X, Y = H, F, Cl]: basis set limit ab initio results and thermochemical analysis

Jan M. L. Martin, J. F. Liebman, S. Parthiban, 2001, physics/0108036.

Ab initio study of the molecular structure and vibrational spectra of dichlorine hexoxide and its significance to stratospheric ozone depletion

R. Sumathi, B. N. Raghunandan, S. Parthiban, 1995 .

Ab initio study of XOClO3 (X = Cl, F, and H): Implications for formation of ClOClO3 in the stratosphere

R. Sumathi, B. N. Raghunandan, S. Parthiban, 1997 .

Fully ab initio atomization energy of benzene via Weizmann-2 theory

J. M. Martin, S. Parthiban, 2001, physics/0105060.

Benchmark ab Initio Energy Profiles for the Gas-Phase SN2 Reactions Y- + CH3X → CH3Y + X- (X,Y = F,Cl,Br). Validation of Hybrid DFT Methods

Jan M. L. Martin, G. D. Oliveira, S. Parthiban, 2000, physics/0011029.

N ov 2 00 5 W 1 and W 2 Theories , and Their Variants : Thermochemistry in the kJ / mol Accuracy Range

Jan M. L. Martin, S. Parthiban, 2005 .

Post-CCSD(T) ab initio thermochemistry of halogen oxides and related hydrides XOX, XOOX, HOX, XOn, and HXOn (X = F, Cl), and evaluation of DFT methods for these systems.

Jan M. L. Martin, A. Karton, S. Parthiban, 2009, The journal of physical chemistry. A.

Accurate calculations on excited states: new theories applied to the –OX, –XO, and –XO2 (X=Cl and Br) chromophores and implications for stratospheric bromine chemistry

Martin Head-Gordon, M. Head‐Gordon, Timothy J. Lee, 1999 .

Post-CCSD(T) ab initio thermochemistry of halogen oxides and related hydrides XOX, XOOX, HOX, XOn, and HXOn (X = F, Cl), and evaluation of DFT methods for these systems.

Jan M. L. Martin, A. Karton, S. Parthiban, 2009, The journal of physical chemistry. A.