Srinivasan S. Iyengar

<i>Ab initio</i> molecular dynamics: Propagating the density matrix with Gaussian orbitals

H. Bernhard Schlegel, John M. Millam, Srinivasan S. Iyengar et al. · The Journal of Chemical Physics · 2001 · 590 citations · Full text

Quantum Dynamic, Engineering, Computational Chemistry +17

<i>Ab initio</i> molecular dynamics: Propagating the density matrix with Gaussian orbitals. III. Comparison with Born–Oppenheimer dynamics

H. Bernhard Schlegel, Srinivasan S. Iyengar, Xiaosong Li et al. · The Journal of Chemical Physics · 2002 · 496 citations

Quantum Dynamic, Engineering, Born–oppenheimer Dynamics +23

<i>Ab initio</i> molecular dynamics: Propagating the density matrix with Gaussian orbitals. II. Generalizations based on mass-weighting, idempotency, energy conservation and choice of initial conditions

Srinivasan S. Iyengar, H. Bernhard Schlegel, John M. Millam et al. · The Journal of Chemical Physics · 2001 · 422 citations

Quantum Dynamic, Engineering, Energy Conservation +16

The Hydrated Proton at the Water Liquid/Vapor Interface

Matt K. Petersen, Srinivasan S. Iyengar, Tyler Day et al. · The Journal of Physical Chemistry B · 2004 · 279 citations

Chemical Engineering, Excess Proton, Engineering +10

The properties of ion-water clusters. I. The protonated 21-water cluster

Srinivasan S. Iyengar, Matt K. Petersen, Tyler Day et al. · The Journal of Chemical Physics · 2005 · 175 citations