The heat of formation of NCO ALL East, WD Allen
The Journal of chemical physics 99 (6), 4638-4650, 1993
463 1993 Ab initio statistical thermodynamical models for the computation of third-law entropiesALL East, L Radom
The Journal of chemical physics 106 (16), 6655-6674, 1997
323 1997 pK a Values of Some Piperazines at (298, 303, 313, and 323) K F Khalili, A Henni, ALL East
Journal of Chemical & Engineering Data 54 (10), 2914-2917, 2009
248 2009 Femtosecond multidimensional imaging of a molecular dissociation O Geßner, AMD Lee, JP Shaffer, H Reisler, SV Levchenko, AI Krylov, ...
Science 311 (5758), 219-222, 2006
204 2006 Characterization of the X ̃ 1 A ′ state of isocyanic acid ALL East, CS Johnson, WD Allen
The Journal of chemical physics 98 (2), 1299-1328, 1993
144 1993 The anharmonic force field and equilibrium molecular structure of ketene ALL East, WD Allen, SJ Klippenstein
The Journal of chemical physics 102 (21), 8506-8532, 1995
135 1995 Properties of C−C Bonds in n -Alkanes: Relevance to Cracking Mechanisms KC Hunter, ALL East
The Journal of Physical Chemistry A 106 (7), 1346-1356, 2002
115 2002 Naphthalene dimer: Electronic states, excimers, and triplet decay ALL East, EC Lim
The Journal of Chemical Physics 113 (20), 8981-8994, 2000
106 2000 Entropies and free energies of protonation and proton-transfer reactions ALL East, BJ Smith, L Radom
Journal of the American Chemical Society 119 (38), 9014-9020, 1997
100 1997 A high level ab initio map and direct statistical treatment of the fragmentation of singlet ketene SJ Klippenstein, ALL East, WD Allen
The Journal of chemical physics 105 (1), 118-140, 1996
97 1996 The 16 valence electronic states of nitric oxide dimer ALL East
The Journal of chemical physics 109 (6), 2185-2193, 1998
83 1998 Mechanism of cis/trans equilibration of alkenes via iodine catalysis SS Hepperle, Q Li, ALL East
The Journal of Physical Chemistry A 109 (48), 10975-10981, 2005
61 2005 Predicting pK a of Amines for CO2 Capture: Computer versus Pencil-and-Paper KZ Sumon, A Henni, ALL East
Industrial & engineering chemistry research 51 (37), 11924-11930, 2012
55 2012 Mechanical activation drastically accelerates amide bond hydrolysis, matching enzyme activity MF Pill, ALL East, D Marx, MK Beyer, H Clausen‐Schaumann
Angewandte Chemie International Edition 58 (29), 9787-9790, 2019
52 2019 The intermolecular vibrations of the NO dimer ALL East, ARW McKellar, JKG Watson
The Journal of chemical physics 109 (11), 4378-4383, 1998
52 1998 Sampling the exact electron distribution by diffusion quantum Monte Carlo ALL East, SM Rothstein, J Vrbik
The Journal of chemical physics 89 (8), 4880-4884, 1988
47 1988 Ab Initio Calculation of the Rotational Spectrum of CH5 + and CD5 + ALL East, M Kolbuszewski, PR Bunker
The Journal of Physical Chemistry A 101 (36), 6746-6752, 1997
46 1997 The [FHCl]− molecular anion: Structural aspects, global surface, and vibrational eigenspectrum NE Klepeis, ALL East, AG Császár, WD Allen, TJ Lee, DW Schwenke
The Journal of chemical physics 99 (5), 3865-3897, 1993
42 1993 Entropy contributions in pKa computation: Application to alkanolamines and piperazines F Khalili, A Henni, ALL East
Journal of Molecular Structure: THEOCHEM 916 (1-3), 1-9, 2009
41 2009 Photodissociation dynamics of the NO dimer. I. Theoretical overview of the ultraviolet singlet excited states SV Levchenko, H Reisler, AI Krylov, O Gessner, A Stolow, H Shi, ALL East
The Journal of chemical physics 125 (8), 2006
40 2006 