| ACES II is a program product of the Quantum Theory Project, University of Florida. Integral packages included are VMOL (J. Almlöf and PR Taylor); VPROPS (P. Taylor) JF Stanton, J Gauss, JD Watts, M Nooijen, N Oliphant, SA Perera, ... ABACUS (T. Helgaker, HJ Aa. Jensen, P. Jørgensen, J. Olsen and PR Taylor), 2005 | 906* | 2005 |
| ACES II, a program product of the Quantum Theory Project JF Stanton, J Gauss, JD Watts, M Nooijen, N Oliphant, SA Perera, ... University of Florida, 1992 | 96 | 1992 |
| Ab initio study of the low-lying electronic states of and A coupled-cluster approach J Yoon, KS Kim, KK Baeck The Journal of Chemical Physics 112 (21), 9335-9342, 2000 | 78 | 2000 |
| Ab initio molecular dynamics with equation-of-motion coupled-cluster theory: Electronic absorption spectrum of ethylene KK Baeck, TJ Martinez Chemical physics letters 375 (3-4), 299-308, 2003 | 49 | 2003 |
| Quantum Wave Packet Propagation Study of the Photochemistry of Phenol: Isotope Effects (Ph-OD) and the Direct Excitation to the 1πσ* State H An, KK Baeck The Journal of Physical Chemistry A 115 (46), 13309-13315, 2011 | 47 | 2011 |
| State-selective predissociation dynamics of methylamines: The vibronic and H∕ D effects on the conical intersection dynamics DS Ahn, J Lee, JM Choi, KS Lee, SJ Baek, K Lee, KK Baeck, SK Kim The Journal of chemical physics 128 (22), 2008 | 46 | 2008 |
| Ab initio study for the low-lying electronic states of and The photoelectron spectroscopy of KK Baeck, RJ Bartlett The Journal of chemical physics 109 (4), 1334-1342, 1998 | 44 | 1998 |
| A stable magnesium bromosilylenoid: Transmetalation of a lithium bromosilylenoid by magnesium bromide YM Lim, HM Cho, ME Lee, KK Baeck Organometallics 25 (21), 4960-4964, 2006 | 37 | 2006 |
| Ab initio study of chemical species in the BCl3 plasma: Structure, spectra, and decomposition paths KK Baeck, RJ Bartlett The Journal of chemical physics 106 (11), 4604-4617, 1997 | 37 | 1997 |
| Analytic energy gradients with frozen molecular orbitals in coupled-cluster and many-body perturbation theory methods: Systematic study of the magnitude and trends of the … KK Baeck, JD Watts, RJ Bartlett The Journal of chemical physics 107 (10), 3853-3863, 1997 | 31 | 1997 |
| ACES II, a program product of the Quantum Theory Project; University of Florida, Gainesville, FL JF Stanton, J Gauss, JD Watts, M Nooijen, N Oliphant, SA Perera, ... Google Scholar There is no corresponding record for this reference, 0 | 29 | |
| Electron diffraction of molecules in specific quantum states: A theoretical study of vibronically excited s-tetrazine S Ryu, RM Stratt, KK Baeck, PM Weber The Journal of Physical Chemistry A 108 (7), 1189-1199, 2004 | 27 | 2004 |
| Ab Initio Study of the Geometries and Vibrational Properties of the Low-Lying Electronic States of Neutral and Anionic M3 (M= P, As, Sb, and Bi): The Photoelectron Spectroscopy … H Choi, C Park, KK Baeck The Journal of Physical Chemistry A 106 (20), 5177-5187, 2002 | 22 | 2002 |
| New synthetic routes for silaheterocycles: reactions of a chlorosilylenoid with aldehydes YM Lim, CH Park, SJ Yoon, HM Cho, ME Lee, KK Baeck Organometallics 29 (6), 1355-1361, 2010 | 21 | 2010 |
| The analytic gradient for the equation-of-motion coupled-cluster energy with a reduced molecular orbital space: An application for the first excited state of formaldehyde KK Baeck The Journal of Chemical Physics 112 (1), 1-4, 2000 | 21 | 2000 |
| Practical approximation of the non-adiabatic coupling terms for same-symmetry interstate crossings by using adiabatic potential energies only KK Baeck, H An The Journal of Chemical Physics 146 (6), 2017 | 20 | 2017 |
| Factors affecting the branching ratio of photodissociation: Thiophenol studied through quantum wavepacket dynamics H An, H Choi, YS Lee, KK Baeck ChemPhysChem 16 (7), 1529-1534, 2015 | 19 | 2015 |
| Structural Distortion of Pyridazine in the 1(n,π*) Excited State: Evidence for Local Excitation KW Choi, DS Ahn, S Lee, H Choi, KK Baeck, SU Heo, SJ Baek, YS Choi, ... ChemPhysChem 5 (5), 737-739, 2004 | 19 | 2004 |
| Relativistic self‐consistent‐field calculations of spin–orbit splittings in diatomic hydrides KK Baeck, Y Sup Lee The Journal of chemical physics 93 (8), 5775-5782, 1990 | 18 | 1990 |
| Ab initio equation-of-motion coupled-cluster molecular dynamics with ‘on-the-fly’diabatization: the doublet-like feature in the photoabsorption spectrum of ethylene H Choi, KK Baeck, TJ Martinez Chemical physics letters 398 (4-6), 407-413, 2004 | 17 | 2004 |
