E. Kamarchik

发表

Predictive a priori pressure-dependent kinetics

James A. Miller, S. Klippenstein, A. Jasper, 2014, Science.

Ab-Initio-Based Potential Energy Surfaces for Complex Molecules and Molecular Complexes

B. Braams, S. Carter, J. Bowman, 2010 .

Communications: Classical trajectory study of the postquenching dynamics of OH A 2Sigma+ by H2 initiated at conical intersections.

J. Bowman, Bina Fu, E. Kamarchik, 2010, The Journal of chemical physics.

Quasiclassical trajectory study of the postquenching dynamics of OH A 2Σ+ by H2/D2 on a global potential energy surface.

J. Bowman, Bina Fu, E. Kamarchik, 2010, The Journal of chemical physics.

Roaming Pathway Leading to Unexpected Water + Vinyl Products in C2H4OH Dissociation

J. Bowman, A. Krylov, E. Kamarchik, 2010 .

Effects of high angular momentum on the unimolecular dissociation of CD2CD2OH: theory and comparisons with experiment.

M. Ceriotti, J. Bowman, L. Butler, 2013, The journal of physical chemistry. A.

Five ab initio potential energy and dipole moment surfaces for hydrated NaCl and NaF. I. Two-body interactions.

J. Bowman, Yimin Wang, E. Kamarchik, 2016, The Journal of chemical physics.

Quantum vibrational analysis of hydrated ions using an ab initio potential.

J. Bowman, E. Kamarchik, 2010, The journal of physical chemistry. A.

Quantum vibrational analysis and infrared spectra of microhydrated sodium ions using an ab initio potential.

J. Bowman, Yimin Wang, E. Kamarchik, 2011, The Journal of chemical physics.

Ab initio potential energy and dipole moment surfaces of the F(-)(H2O) complex.

J. Bowman, O. Christiansen, E. Kamarchik, 2014, Spectrochimica Acta Part A - Molecular and Biomolecular Spectroscopy.

Coupling of Low- and High-Frequency Vibrational Modes: Broadening in the Infrared Spectrum of F–(H2O)2

J. Bowman, E. Kamarchik, 2013 .

Parametric two-electron reduced-density-matrix method applied to computing molecular energies and properties at nonequilibrium geometries.

A. DePrince, D. Mazziotti, E. Kamarchik, 2008, The Journal of chemical physics.

Collisional quenching of OD A 2Σ+ by H2: experimental and theoretical studies of the state-resolved OD X 2Π product distribution and branching fraction.

J. Bowman, Bina Fu, M. Lester, 2010, The Journal of chemical physics.

First-principles binary diffusion coefficients for H, H₂, and four normal alkanes + N₂.

James A. Miller, S. Klippenstein, A. Jasper, 2014, The Journal of chemical physics.

Overtone-induced dissociation and isomerization dynamics of the hydroxymethyl radical (CH2OH and CD2OH). I. A theoretical study.

J. Bowman, A. Krylov, E. Kamarchik, 2012, The Journal of chemical physics.

Implementation of the time-dependent configuration-interaction singles method for atomic strong-field processes

Loren Greenman, David A. Mazziotti, S. Pabst, 2010 .

Spectroscopic signatures of proton transfer dynamics in the water dimer cation.

J. Bowman, A. Krylov, O. Kostko, 2010, The Journal of chemical physics.

A novel Gaussian Binning (1GB) analysis of vibrational state distributions in highly excited H2O from reactive quenching of OH∗ by H2.

J. Bowman, R. Conte, Bina Fu, 2013, The Journal of chemical physics.

Anharmonic state counts and partition functions for molecules via classical phase space integrals in curvilinear coordinates.

A. Jasper, E. Kamarchik, 2013, The Journal of chemical physics.

Non-Condon Effects in the One- and Two-Photon Absorption Spectra of the Green Fluorescent Protein

Anna I. Krylov, A. Krylov, E. Kamarchik, 2011 .

Reduced-dimensional quantum approach to tunneling splittings using saddle-point normal coordinates.

J. Bowman, Yimin Wang, E. Kamarchik, 2009, The journal of physical chemistry. A.

The effect of microhydration on ionization energies of thymine.

A. Krylov, K. Bravaya, O. Kostko, 2011, Faraday discussions.

Anharmonic Vibrational Properties from Intrinsic n-Mode State Densities

A. Jasper, E. Kamarchik, 2013 .

Effects of high angular momentum on the unimolecular dissociation of CD2CD2OH: theory and comparisons with experiment.

M. Ceriotti, J. Bowman, L. Butler, 2013, The journal of physical chemistry. A.

Global energy minima of molecular clusters computed in polynomial time with semidefinite programming.

D. Mazziotti, E. Kamarchik, 2007, Physical review letters.