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Millard H. Alexander, Ph. D. - Publications

Affiliations: 
Chemistry and Biochemistry University of Maryland, College Park, College Park, MD 
Area:
Theoretical Chemistry, Collision Dynamics
Website:
http://www2.chem.umd.edu/groups/alexander

205 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Yang T, Huang L, Xiao C, Chen J, Wang T, Dai D, Lique F, Alexander MH, Sun Z, Zhang DH, Yang X, Neumark DM. Enhanced reactivity of fluorine with para-hydrogen in cold interstellar clouds by resonance-induced quantum tunnelling. Nature Chemistry. PMID 31235895 DOI: 10.1038/s41557-019-0280-3  0.88
2019 Kumar P, Kłos J, Poirier B, Alexander MH, Guo H. Accurate characterization of the lowest triplet potential energy surface of SO with a coupled cluster method. The Journal of Chemical Physics. 150: 144303. PMID 30981276 DOI: 10.1063/1.5088959  0.68
2018 Nuñez-Reyes D, Kłos J, Alexander MH, Dagdigian PJ, Hickson KM. Experimental and theoretical investigation of the temperature dependent electronic quenching of O(D) atoms in collisions with Kr. The Journal of Chemical Physics. 148: 124311. PMID 29604824 DOI: 10.1063/1.5021885  1
2017 Jiang B, Kumar P, Kłos J, Alexander MH, Poirier B, Guo H. First-principles C band absorption spectra of SO2 and its isotopologues. The Journal of Chemical Physics. 146: 154305. PMID 28433016 DOI: 10.1063/1.4980124  0.68
2017 Kłos J, Ma Q, Alexander MH, Dagdigian PJ. The interaction of NO(X(2)Π) with H2: Ab initio potential energy surfaces and bound states. The Journal of Chemical Physics. 146: 114301. PMID 28330347 DOI: 10.1063/1.4977992  1
2016 Kłos J, Kim M, Alexander MH, Wang Y. Chemical Control and Spectral Fingerprints of Electronic Coupling in Carbon Nanostructures. The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 120: 29476-29483. PMID 28819465 DOI: 10.1021/acs.jpcc.6b09612  0.68
2016 Dagdigian PJ, Kłos J, Warehime M, Alexander MH. Accurate transport properties for O((3)P)-H and O((3)P)-H2. The Journal of Chemical Physics. 145: 164309. PMID 27802650 DOI: 10.1063/1.4966150  1
2016 Kłos J, Alexander MH, Kumar P, Poirier B, Jiang B, Guo H. Publisher's Note: "New ab initio adiabatic potential energy surfaces and bound state calculations for the singlet ground X̃(1)A1 and excited C̃(1)B2(2(1)A(')) states of SO2" [J. Chem. Phys. 144, 174301 (2016)]. The Journal of Chemical Physics. 144: 209901. PMID 27250334 DOI: 10.1063/1.4951737  0.68
2016 Kłos J, Alexander MH, Kumar P, Poirier B, Jiang B, Guo H. New ab initio adiabatic potential energy surfaces and bound state calculations for the singlet ground X̃(1)A1 and excited C̃(1)B2(2(1)A(')) states of SO2. The Journal of Chemical Physics. 144: 174301. PMID 27155634 DOI: 10.1063/1.4947526  0.68
2015 Murray MJ, Ogden HM, Toro C, Liu Q, Burns D, Alexander MH, Mullin AS. State-Specific Collision Dynamics of Molecular Super Rotors with Oriented Angular Momentum. The Journal of Physical Chemistry. A. PMID 26469322 DOI: 10.1021/acs.jpca.5b07941  1
2015 Garofalo LA, Smith MC, Dagdigian PJ, Kłos J, Alexander MH, Boering KA, Lin JJ. Electronic quenching of O((1)D) by Xe: Oscillations in the product angular distribution and their dependence on collision energy. The Journal of Chemical Physics. 143: 054307. PMID 26254653 DOI: 10.1063/1.4927705  1
2015 Dagdigian PJ, Alexander MH, Kłos J. Theoretical investigation of the dynamics of O((1)D→(3)P) electronic quenching by collision with Xe. The Journal of Chemical Physics. 143: 054306. PMID 26254652 DOI: 10.1063/1.4927704  1
2015 Ma Q, van der Avoird A, Loreau J, Alexander MH, van de Meerakker SY, Dagdigian PJ. Resonances in rotationally inelastic scattering of NH3 and ND3 with H2. The Journal of Chemical Physics. 143: 044312. PMID 26233134 DOI: 10.1063/1.4927074  1
2015 Kim JB, Weichman ML, Sjolander TF, Neumark DM, K?os J, Alexander MH, Manolopoulos DE. Spectroscopic observation of resonances in the F + H2 reaction. Science (New York, N.Y.). 349: 510-513. PMID 26228142 DOI: 10.1126/science.aac6939  1
2015 Schewe HC, Ma Q, Vanhaecke N, Wang X, K?os J, Alexander MH, van de Meerakker SY, Meijer G, van der Avoird A, Dagdigian PJ. Rotationally inelastic scattering of OH by molecular hydrogen: Theory and experiment. The Journal of Chemical Physics. 142: 204310. PMID 26026450 DOI: 10.1063/1.4921562  1
2015 Warehime M, K?os J, Alexander MH. A finite-element visualization of quantum reactive scattering. II. Nonadiabaticity on coupled potential energy surfaces. The Journal of Chemical Physics. 142: 034108. PMID 25612690 DOI: 10.1063/1.4904432  1
2015 Nichols B, Chadwick H, Gordon SDS, Eyles CJ, Hornung B, Brouard M, Alexander MH, Aoiz FJ, Gijsbertsen A, Stolte S. Steric effects and quantum interference in the inelastic scattering of NO(X) + Ar Chemical Science. 6: 2202-2210. DOI: 10.1039/c4sc03842h  1
2014 Chadwick H, Nichols B, Gordon SD, Hornung B, Squires E, Brouard M, Kłos J, Alexander MH, Aoiz FJ, Stolte S. Inelastic Scattering of NO by Kr: Rotational Polarization over a Rainbow. The Journal of Physical Chemistry Letters. 5: 3296-301. PMID 26278434 DOI: 10.1021/jz501621c  0.68
2014 Ma L, Dagdigian PJ, Alexander MH. Theoretical investigation of the relaxation of the bending mode of CH₂(X̃) by collisions with helium. The Journal of Chemical Physics. 141: 214305. PMID 25481142 DOI: 10.1063/1.4902004  1
2014 Ma Q, K?os J, Alexander MH, van der Avoird A, Dagdigian PJ. The interaction of OH(X²Π) with H₂: ab initio potential energy surfaces and bound states. The Journal of Chemical Physics. 141: 174309. PMID 25381516 DOI: 10.1063/1.4900478  1
2014 Ma L, Alexander MH, Dagdigian PJ. Theoretical investigation of intersystem crossing between the ã¹A₁ and X³B₁ states of CH₂ induced by collisions with helium. The Journal of Chemical Physics. 141: 064312. PMID 25134576 DOI: 10.1063/1.4892377  1
2014 Dagdigian PJ, Alexander MH. Transport properties for systems with deep potential wells: H + O2. The Journal of Physical Chemistry. A. 118: 11935-42. PMID 25045797 DOI: 10.1021/jp505769h  1
2014 Warehime M, Alexander MH. A MATLAB-based finite-element visualization of quantum reactive scattering. I. Collinear atom-diatom reactions. The Journal of Chemical Physics. 141: 024118. PMID 25028010 DOI: 10.1063/1.4885344  1
2014 Tká? O, Orr-Ewing AJ, Dagdigian PJ, Alexander MH, Onvlee J, van der Avoird A. Collision dynamics of symmetric top molecules: a comparison of the rotationally inelastic scattering of CD3 and ND3 with He. The Journal of Chemical Physics. 140: 134308. PMID 24712794 DOI: 10.1063/1.4869596  1
2014 Chadwick H, Brouard M, Chang YP, Eyles CJ, McCrudden G, Perkins T, Seamons SA, K?os J, Alexander MH, Dagdigian PJ, Herráez-Aguilar D, Aoiz FJ. The collisional depolarization of OH(A (2)Σ(+)) and NO(A (2)Σ(+)) with Kr. The Journal of Chemical Physics. 140: 054306. PMID 24511939 DOI: 10.1063/1.4863446  1
2014 Tizniti M, Le Picard SD, Lique F, Berteloite C, Canosa A, Alexander MH, Sims IR. The rate of the F + H2 reaction at very low temperatures. Nature Chemistry. 6: 141-5. PMID 24451590 DOI: 10.1038/nchem.1835  1
2014 Chadwick H, Nichols B, Gordon SDS, Hornung B, Squires E, Brouard M, K?os J, Alexander MH, Aoiz FJ, Stolte S. Inelastic scattering of no by Kr: Rotational polarization over a rainbow Journal of Physical Chemistry Letters. 5: 3296-3301. DOI: 10.1021/jz501621c  1
2013 Dagdigian PJ, Alexander MH. Exact quantum scattering calculations of transport properties for the H2O-H system. The Journal of Chemical Physics. 139: 194309. PMID 24320328 DOI: 10.1063/1.4829681  1
2013 McGurk SJ, McKendrick KG, Costen ML, Alexander MH, Dagdigian PJ. Parity-dependent oscillations in collisional polarization transfer: CN(A²Π, v = 4) + Ar. The Journal of Chemical Physics. 139: 124304. PMID 24089764 DOI: 10.1063/1.4821602  1
2013 Casavecchia P, Alexander MH. Chemistry. Uncloaking the quantum nature of inelastic molecular collisions. Science (New York, N.Y.). 341: 1076-7. PMID 24009384 DOI: 10.1126/science.1244109  1
2013 Casavecchia P, Alexander MH. Chemistry. Uncloaking the quantum nature of inelastic molecular collisions. Science (New York, N.Y.). 341: 1076-7. PMID 24009384 DOI: 10.1126/science.1244109  1
2013 Lehman JH, Lester MI, K?os J, Alexander MH, Dagdigian PJ, Herráez-Aguilar D, Aoiz FJ, Brouard M, Chadwick H, Perkins T, Seamons SA. Electronic quenching of OH A 2Σ+ induced by collisions with Kr atoms. The Journal of Physical Chemistry. A. 117: 13481-90. PMID 23964894 DOI: 10.1021/jp407035p  1
2013 Li A, Guo H, Sun Z, K?os J, Alexander MH. State-to-state quantum dynamics of the F + HCl (vi = 0, ji = 0) → HF(vf, jf) + Cl reaction on the ground state potential energy surface. Physical Chemistry Chemical Physics : Pccp. 15: 15347-55. PMID 23928838 DOI: 10.1039/c3cp51870a  1
2013 Ershova OV, K?os J, Harris JP, Gardner AM, Tamé-Reyes VM, Andrejeva A, Alexander MH, Besley NA, Wright TG. Interaction of the NO 3pπ Rydberg state with Ar: potential energy surfaces and spectroscopy. The Journal of Chemical Physics. 138: 214313. PMID 23758377 DOI: 10.1063/1.4808027  1
2013 Meyer H, K?os J, Alexander MH. Near-IR spectrum of NO(X2Π)-Xe: a joint experimental-theoretical investigation. The Journal of Physical Chemistry. A. 117: 11906-14. PMID 23731187 DOI: 10.1021/jp4031267  1
2013 Dagdigian PJ, Alexander MH. Exact quantum scattering calculations of transport properties: CH2(X̃3B1, ã1A1)-helium. The Journal of Chemical Physics. 138: 164305. PMID 23635136 DOI: 10.1063/1.4801789  1
2013 Dagdigian PJ, Alexander MH. Exact quantum scattering calculations of transport properties: CH2(X̃3B1, ã1A1)-helium. The Journal of Chemical Physics. 138: 164305. PMID 23635136 DOI: 10.1063/1.4801789  1
2013 Steill JD, Kay JJ, Paterson G, Sharples TR, K?os J, Costen ML, Strecker KE, McKendrick KG, Alexander MH, Chandler DW. Rotational alignment of NO (A2Σ+) from collisions with Ne. The Journal of Physical Chemistry. A. 117: 8163-74. PMID 23611173 DOI: 10.1021/jp402019s  1
2013 Ma Q, Dagdigian PJ, Alexander MH. Theoretical study of the vibrational relaxation of the methyl radical in collisions with helium. The Journal of Chemical Physics. 138: 104317. PMID 23514499 DOI: 10.1063/1.4794167  1
2013 Ma Q, Dagdigian PJ, Alexander MH. Theoretical study of the vibrational relaxation of the methyl radical in collisions with helium. The Journal of Chemical Physics. 138: 104317. PMID 23514499 DOI: 10.1063/1.4794167  1
2013 Alexander MH. Reaction dynamics: OH electron, where art thou? Nature Chemistry. 5: 253-5. PMID 23511409 DOI: 10.1038/nchem.1598  1
2013 Alexander MH. Reaction dynamics: OH electron, where art thou? Nature Chemistry. 5: 253-5. PMID 23511409 DOI: 10.1038/nchem.1598  1
2013 Dubernet ML, Alexander MH, Ba YA, Balakrishnan N, Balança C, Ceccarelli C, Cernicharo J, Daniel F, Dayou F, Doronin M, Dumouchel F, Faure A, Feautrier N, Flower DR, Grosjean A, et al. BASECOL2012: A collisional database repository and web service within the Virtual Atomic and Molecular Data Centre (VAMDC) Astronomy and Astrophysics. 553. DOI: 10.1051/0004-6361/201220630  1
2013 Tká? O, Sage AG, Greaves SJ, Orr-Ewing AJ, Dagdigian PJ, Ma Q, Alexander MH. Rotationally inelastic scattering of CD3 and CH3 with He: Comparison of velocity map-imaging data with quantum scattering calculations Chemical Science. 4: 4199-4211. DOI: 10.1039/c3sc52002a  1
2012 Chadwick H, Brouard M, Chang YP, Eyles CJ, Perkins T, Seamons SA, Kłos J, Alexander MH, Aoiz FJ. A new potential energy surface for OH(A 2Σ+)-Kr: the van der Waals complex and inelastic scattering. The Journal of Chemical Physics. 137: 154305. PMID 23083163 DOI: 10.1063/1.4757859  0.68
2012 Tscherbul TV, Grinev TA, Yu HG, Dalgarno A, K?os J, Ma L, Alexander MH. Cold collisions of polyatomic molecular radicals with S-state atoms in a magnetic field: an ab initio study of He + CH2(X) collisions. The Journal of Chemical Physics. 137: 104302. PMID 22979854 DOI: 10.1063/1.4748258  1
2012 Dagdigian PJ, Alexander MH. Exact quantum scattering calculation of transport properties for free radicals: OH(X2Π)-helium. The Journal of Chemical Physics. 137: 094306. PMID 22957568 DOI: 10.1063/1.4748141  1
2012 Dagdigian PJ, Alexander MH. Exact quantum scattering calculation of transport properties for free radicals: OH(X2Π)-helium. The Journal of Chemical Physics. 137: 094306. PMID 22957568 DOI: 10.1063/1.4748141  1
2012 Ma L, Dagdigian PJ, Alexander MH. Theoretical investigation of rotationally inelastic collisions of CH2(X) with helium. The Journal of Chemical Physics. 136: 224306. PMID 22713046 DOI: 10.1063/1.4729050  1
2012 McGurk SJ, McKendrick KG, Costen ML, Bennett DI, K?os J, Alexander MH, Dagdigian PJ. Depolarization of rotational angular momentum in CN(A2Π, v = 4) + Ar collisions. The Journal of Chemical Physics. 136: 164306. PMID 22559481 DOI: 10.1063/1.4705118  1
2012 McGurk SJ, McKendrick KG, Costen ML, Bennett DI, K?os J, Alexander MH, Dagdigian PJ. Depolarization of rotational angular momentum in CN(A2Π, v = 4) + Ar collisions. The Journal of Chemical Physics. 136: 164306. PMID 22559481 DOI: 10.1063/1.4705118  1
2012 Gubbels KB, Ma Q, Alexander MH, Dagdigian PJ, Tanis D, Groenenboom GC, van der Avoird A, van de Meerakker SY. Resonances in rotationally inelastic scattering of OH(X2Π) with helium and neon. The Journal of Chemical Physics. 136: 144308. PMID 22502519 DOI: 10.1063/1.3697816  1
2012 Gubbels KB, Ma Q, Alexander MH, Dagdigian PJ, Tanis D, Groenenboom GC, van der Avoird A, van de Meerakker SY. Resonances in rotationally inelastic scattering of OH(X2Π) with helium and neon. The Journal of Chemical Physics. 136: 144308. PMID 22502519 DOI: 10.1063/1.3697816  1
2012 Lique F, Alexander MH. Spin-orbit quenching of Cl(2P(1∕2)) by H2. The Journal of Chemical Physics. 136: 124312. PMID 22462862 DOI: 10.1063/1.3697541  0.72
2012 Bulut N, Kłos J, Alexander MH. Accurate quantum wave packet calculations for the F + HCl → Cl + HF reaction on the ground 1(2)A' potential energy surface. The Journal of Chemical Physics. 136: 104304. PMID 22423835 DOI: 10.1063/1.3692328  0.68
2012 Kay JJ, Steill JD, Kos J, Paterson G, Costen ML, Strecker KE, McKendrick KG, Alexander MH, Chandler DW. Collisions of electronically excited molecules: Differential cross-sections for rotationally inelastic scattering of NO(A 2Σ +) with Ar and He Molecular Physics. 110: 1693-1703. DOI: 10.1080/00268976.2012.670283  1
2012 Kay JJ, Steill JD, Kos J, Paterson G, Costen ML, Strecker KE, McKendrick KG, Alexander MH, Chandler DW. Collisions of electronically excited molecules: Differential cross-sections for rotationally inelastic scattering of NO(A 2Σ +) with Ar and He Molecular Physics. 110: 1693-1703. DOI: 10.1080/00268976.2012.670283  0.68
2012 Chadwick H, Brouard M, Chang YP, Eyles CJ, Perkins T, Seamons SA, Kos J, Alexander MH, Aoiz FJ. A new potential energy surface for OH(A 2Σ +)-Kr: The van der Waals complex and inelastic scattering Journal of Chemical Physics. 137. DOI: 10.1063/1.4757859  1
2012 Chadwick H, Brouard M, Chang YP, Eyles CJ, Perkins T, Seamons SA, Kos J, Alexander MH, Aoiz FJ. A new potential energy surface for OH(A 2Σ +)-Kr: The van der Waals complex and inelastic scattering Journal of Chemical Physics. 137. DOI: 10.1063/1.4757859  0.4
2012 Lique F, Alexander MH. Spin-orbit quenching of Cl( 2P 1/2) by H 2 Journal of Chemical Physics. 136. DOI: 10.1063/1.3697541  1
2012 Lique F, Alexander MH. Spin-orbit quenching of Cl( 2P 1/2) by H 2 Journal of Chemical Physics. 136. DOI: 10.1063/1.3697541  0.72
2012 Bulut N, K?os J, Alexander MH. Accurate quantum wave packet calculations for the F + HCl → Cl + HF reaction on the ground 1 2A ′ potential energy surface Journal of Chemical Physics. 136. DOI: 10.1063/1.3692328  1
2011 Paterson G, Relf A, Costen ML, McKendrick KG, Alexander MH, Dagdigian PJ. Rotationally elastic and inelastic dynamics of NO(X2Π, v = 0) in collisions with Ar. The Journal of Chemical Physics. 135: 234304. PMID 22191872 DOI: 10.1063/1.3665135  1
2011 Dagdigian PJ, Alexander MH. Theoretical investigation of rotationally inelastic collisions of the methyl radical with helium. The Journal of Chemical Physics. 135: 064306. PMID 21842932 DOI: 10.1063/1.3624525  1
2011 Dagdigian PJ, Alexander MH. Theoretical investigation of rotationally inelastic collisions of the methyl radical with helium. The Journal of Chemical Physics. 135: 064306. PMID 21842932 DOI: 10.1063/1.3624525  1
2011 Lique F, Li G, Werner HJ, Alexander MH. Communication: non-adiabatic coupling and resonances in the F + H2 reaction at low energies. The Journal of Chemical Physics. 134: 231101. PMID 21702542 DOI: 10.1063/1.3603453  1
2011 Lique F, Li G, Werner HJ, Alexander MH. Communication: non-adiabatic coupling and resonances in the F + H2 reaction at low energies. The Journal of Chemical Physics. 134: 231101. PMID 21702542 DOI: 10.1063/1.3603453  1
2011 Ma L, Alexander MH, Dagdigian PJ. Theoretical investigation of rotationally inelastic collisions of CH2(ã) with helium. The Journal of Chemical Physics. 134: 154307. PMID 21513387 DOI: 10.1063/1.3575200  1
2011 Ma L, Alexander MH, Dagdigian PJ. Theoretical investigation of rotationally inelastic collisions of CH2(ã) with helium. The Journal of Chemical Physics. 134: 154307. PMID 21513387 DOI: 10.1063/1.3575200  1
2011 Alexander MH. Chemical kinetics under test Science. 331: 411-412. DOI: 10.1126/science.1201509  1
2011 Alexander MH, Hall GE, Dagdigian PJ. The approach to equilibrium: Detailed balance and the master equation Journal of Chemical Education. 88: 1538-1543. DOI: 10.1021/ed2001329  1
2011 Alexander MH, Hall GE, Dagdigian PJ. The approach to equilibrium: Detailed balance and the master equation Journal of Chemical Education. 88: 1538-1543. DOI: 10.1021/ed2001329  1
2010 Scharfenberg L, K?os J, Dagdigian PJ, Alexander MH, Meijer G, van de Meerakker SY. State-to-state inelastic scattering of Stark-decelerated OH radicals with Ar atoms. Physical Chemistry Chemical Physics : Pccp. 12: 10660-70. PMID 20657906 DOI: 10.1039/c004422a  1
2010 Sun Z, Zhang DH, Alexander MH. Time-dependent wavepacket investigation of state-to-state reactive scattering of Cl with para-H(2) including the open-shell character of the Cl atom. The Journal of Chemical Physics. 132: 034308. PMID 20095740 DOI: 10.1063/1.3290946  0.32
2010 Lique F, Spielfiedel A, Feautrier N, Schneider IF, Kłos J, Alexander MH. Rotational excitation of CN(X (2)Sigma(+)) by He: Theory and comparison with experiments. The Journal of Chemical Physics. 132: 024303. PMID 20095670 DOI: 10.1063/1.3285811  0.72
2010 Kirste M, Scharfenberg L, K?os J, Lique F, Alexander MH, Meijer G, Van De Meerakker SYT. Low-energy inelastic collisions of OH radicals with He atoms and D 2 molecules Physical Review a - Atomic, Molecular, and Optical Physics. 82. DOI: 10.1103/PhysRevA.82.042717  1
2010 Kirste M, Scharfenberg L, K?os J, Lique F, Alexander MH, Meijer G, Van De Meerakker SYT. Low-energy inelastic collisions of OH radicals with He atoms and D 2 molecules Physical Review a - Atomic, Molecular, and Optical Physics. 82. DOI: 10.1103/PhysRevA.82.042717  0.72
2010 Kay JJ, K?os J, Alexander MH, Strecker KE, Chandler DW. Cold atoms by kinematic cooling Physical Review a - Atomic, Molecular, and Optical Physics. 82. DOI: 10.1103/PhysRevA.82.032709  1
2010 Kay JJ, K?os J, Alexander MH, Strecker KE, Chandler DW. Cold atoms by kinematic cooling Physical Review a - Atomic, Molecular, and Optical Physics. 82. DOI: 10.1103/PhysRevA.82.032709  0.68
2010 Dagdigian PJ, Alexander M. Depolarization in H2O-He collisions Molecular Physics. 108: 1159-1169. DOI: 10.1080/00268971003667440  1
2010 Sun Z, Zhang DH, Alexander MH. Time-dependent wavepacket investigation of state-to-state reactive scattering of Cl with para- H2 including the open-shell character of the Cl atom Journal of Chemical Physics. 132. DOI: 10.1063/1.3290946  1
2010 Sun Z, Zhang DH, Alexander MH. Time-dependent wavepacket investigation of state-to-state reactive scattering of Cl with para- H2 including the open-shell character of the Cl atom Journal of Chemical Physics. 132. DOI: 10.1063/1.3290946  1
2010 Lique F, Spielfiedel A, Feautrier N, Schneider IF, Kos J, Alexander MH. Rotational excitation of CN(X2∑+) by He: Theory and comparison with experiments Journal of Chemical Physics. 132. DOI: 10.1063/1.3285811  1
2009 Lique F, Jorfi M, Honvault P, Halvick P, Lin SY, Guo H, Xie DQ, Dagdigian PJ, K?os J, Alexander MH. O+OH-->O(2)+H: A key reaction for interstellar chemistry. New theoretical results and comparison with experiment. The Journal of Chemical Physics. 131: 221104. PMID 20001016 DOI: 10.1063/1.3274226  1
2009 Lique F, Jorfi M, Honvault P, Halvick P, Lin SY, Guo H, Xie DQ, Dagdigian PJ, K?os J, Alexander MH. O+OH-->O(2)+H: A key reaction for interstellar chemistry. New theoretical results and comparison with experiment. The Journal of Chemical Physics. 131: 221104. PMID 20001016 DOI: 10.1063/1.3274226  1
2009 Dagdigian PJ, Alexander MH. Dependence of elastic depolarization cross sections on the potential: OH(X 2Pi)-Ar and NO(X 2Pi)-Ar. The Journal of Chemical Physics. 130: 204304. PMID 19485446 DOI: 10.1063/1.3139522  1
2009 Dagdigian PJ, Alexander MH. Dependence of elastic depolarization cross sections on the potential: OH(X 2Pi)-Ar and NO(X 2Pi)-Ar. The Journal of Chemical Physics. 130: 204304. PMID 19485446 DOI: 10.1063/1.3139522  1
2009 Dagdigian PJ, Alexander MH. Tensor cross sections and collisional depolarization of OH(X 2Pi) in collisions with helium. The Journal of Chemical Physics. 130: 164315. PMID 19405587 DOI: 10.1063/1.3119978  1
2009 Wen B, Meyer H, K?os J, Alexander MH. Joint experimental-theoretical investigation of the lower bound states of the NO(X2Pi)-Kr complex. The Journal of Physical Chemistry. A. 113: 7366-75. PMID 19388642 DOI: 10.1021/jp811513j  1
2009 Wen B, Meyer H, K?os J, Alexander MH. Joint experimental-theoretical investigation of the lower bound states of the NO(X2Pi)-Kr complex. The Journal of Physical Chemistry. A. 113: 7366-75. PMID 19388642 DOI: 10.1021/jp811513j  1
2009 Dagdigian PJ, Alexander MH. Tensor cross sections and the collisional evolution of state multipoles: OH(X (2)Pi)-Ar. The Journal of Chemical Physics. 130: 094303. PMID 19275399 DOI: 10.1063/1.3078386  1
2009 Dagdigian PJ, Alexander MH. Tensor cross sections and the collisional evolution of state multipoles: OH(X (2)Pi)-Ar. The Journal of Chemical Physics. 130: 094303. PMID 19275399 DOI: 10.1063/1.3078386  1
2009 Khachatrian A, Dagdigian PJ, Bennett DI, Lique F, K?os J, Alexander MH. Experimental and theoretical study of rotationally inelastic collisions of CN(A2pi) with N2. The Journal of Physical Chemistry. A. 113: 3922-31. PMID 19215110 DOI: 10.1021/jp810148w  1
2009 Khachatrian A, Dagdigian PJ, Bennett DI, Lique F, K?os J, Alexander MH. Experimental and theoretical study of rotationally inelastic collisions of CN(A2pi) with N2. The Journal of Physical Chemistry. A. 113: 3922-31. PMID 19215110 DOI: 10.1021/jp810148w  1
2009 Lique F, Van Der Tak FFS, K?os J, Bulthuis J, Alexander MH. The importance of non-LTE models for the interpretation of observations of interstellar NO Astronomy and Astrophysics. 493: 557-563. DOI: 10.1051/0004-6361:200810453  1
2009 Lique F, Van Der Tak FFS, K?os J, Bulthuis J, Alexander MH. The importance of non-LTE models for the interpretation of observations of interstellar NO Astronomy and Astrophysics. 493: 557-563. DOI: 10.1051/0004-6361:200810453  0.72
2009 Klos J, Lique F, Alexander MH. Temperature dependence of rotational excitation rate coefficients of SH(X2II) in collision with He Chemical Physics Letters. 476: 135-137. DOI: 10.1016/j.cplett.2009.04.063  1
2009 Klos J, Lique F, Alexander MH. Temperature dependence of rotational excitation rate coefficients of SH(X2II) in collision with He Chemical Physics Letters. 476: 135-137. DOI: 10.1016/j.cplett.2009.04.063  0.72
2008 K?os J, Alexander MH, Hernández-Lamoneda R, Wright TG. Interaction of NO(A2Sigma+) with rare gas atoms: potential energy surfaces and spectroscopy. The Journal of Chemical Physics. 129: 244303. PMID 19123503 DOI: 10.1063/1.3040074  1
2008 Poad BL, Wearne PJ, Bieske EJ, Buchachenko AA, Bennett DI, Kłos J, Alexander MH. The Na(+)-H(2) cation complex: Rotationally resolved infrared spectrum, potential energy surface, and rovibrational calculations. The Journal of Chemical Physics. 129: 184306. PMID 19045402 DOI: 10.1063/1.3005785  0.68
2008 Wang X, Dong W, Xiao C, Che L, Ren Z, Dai D, Wang X, Casavecchia P, Yang X, Jiang B, Xie D, Sun Z, Lee SY, Zhang DH, Werner HJ, ... Alexander MH, et al. The extent of non-Born-Oppenheimer coupling in the reaction of Cl(2P) with para-H2. Science (New York, N.Y.). 322: 573-6. PMID 18948537 DOI: 10.1126/science.1163195  1
2008 Wang X, Dong W, Xiao C, Che L, Ren Z, Dai D, Wang X, Casavecchia P, Yang X, Jiang B, Xie D, Sun Z, Lee SY, Zhang DH, Werner HJ, ... Alexander MH, et al. The extent of non-Born-Oppenheimer coupling in the reaction of Cl(2P) with para-H2. Science (New York, N.Y.). 322: 573-6. PMID 18948537 DOI: 10.1126/science.1163195  1
2008 K?os JA, Lique F, Alexander MH, Dagdigian PJ. Theoretical determination of rate constants for vibrational relaxation and reaction of OH(X 2Pi, v = 1) with O(3P) atoms. The Journal of Chemical Physics. 129: 064306. PMID 18715068 DOI: 10.1063/1.2957901  1
2008 Kłos J, Alexander MH, Brouard M, Eyles CJ, Aoiz FJ. A new potential energy surface for OH(A 2Sigma(+))-Ar: the van der Waals complex and scattering dynamics. The Journal of Chemical Physics. 129: 054301. PMID 18698894 DOI: 10.1063/1.2957745  0.68
2008 Wen B, Kim Y, Meyer H, Kłos J, Alexander MH. IR-REMPI double resonance spectroscopy: the near-IR spectrum of NO-Ar revisited. The Journal of Physical Chemistry. A. 112: 9483-93. PMID 18588277 DOI: 10.1021/jp802765z  0.68
2008 Lique F, Alexander MH, Li G, Werner HJ, Nizkorodov SA, Harper WW, Nesbitt DJ. Evidence for excited spin-orbit state reaction dynamics in F+H2: theory and experiment. The Journal of Chemical Physics. 128: 084313. PMID 18315052 DOI: 10.1063/1.2831412  1
2008 Lique F, Alexander MH, Li G, Werner HJ, Nizkorodov SA, Harper WW, Nesbitt DJ. Evidence for excited spin-orbit state reaction dynamics in F+H2: theory and experiment. The Journal of Chemical Physics. 128: 084313. PMID 18315052 DOI: 10.1063/1.2831412  1
2008 Alexander MH, K?os J, Manolopoulos DE. Nonadiabatic effects in the photodetachment of ClH2(-). The Journal of Chemical Physics. 128: 084312. PMID 18315051 DOI: 10.1063/1.2834690  1
2008 Alexander MH, K?os J, Manolopoulos DE. Nonadiabatic effects in the photodetachment of ClH2(-). The Journal of Chemical Physics. 128: 084312. PMID 18315051 DOI: 10.1063/1.2834690  1
2008 Tsai MT, Tsai PY, Alexander MH, Lin KC. Spin-resolved rotational energy transfer for the CH B 2Σ - (v=0, N, F) state by collisions with Ar Chemphyschem. 9: 572-578. PMID 18288657 DOI: 10.1002/cphc.200700779  1
2008 Tsai MT, Tsai PY, Alexander MH, Lin KC. Spin-resolved rotational energy transfer for the CH B 2Σ - (v=0, N, F) state by collisions with Ar Chemphyschem. 9: 572-578. PMID 18288657 DOI: 10.1002/cphc.200700779  1
2008 Garand E, Zhou J, Manolopoulos DE, Alexander MH, Neumark DM. Nonadiabatic interactions in the Cl + H2 reaction probed by ClH2- and ClD2- photoelectron imaging. Science (New York, N.Y.). 319: 72-5. PMID 18174436 DOI: 10.1126/science.1150602  1
2008 Garand E, Zhou J, Manolopoulos DE, Alexander MH, Neumark DM. Nonadiabatic interactions in the Cl + H2 reaction probed by ClH2- and ClD2- photoelectron imaging. Science (New York, N.Y.). 319: 72-5. PMID 18174436 DOI: 10.1126/science.1150602  1
2008 Poad BLJ, Wearne PJ, Bieske EJ, Buchachenko AA, Bennett DIG, K?os J, Alexander MH. The Na+-H2 cation complex: Rotationally resolved infrared spectrum, potential energy surface, and rovibrational calculations Journal of Chemical Physics. 129. DOI: 10.1063/1.3005785  1
2008 Poad BLJ, Wearne PJ, Bieske EJ, Buchachenko AA, Bennett DIG, K?os J, Alexander MH. The Na+-H2 cation complex: Rotationally resolved infrared spectrum, potential energy surface, and rovibrational calculations Journal of Chemical Physics. 129. DOI: 10.1063/1.3005785  0.4
2008 K?os J, Alexander MH, Brouard M, Eyles CJ, Aoiz FJ. A new potential energy surface for OH (A 2+)-Ar: The van der Waals complex and scattering dynamics Journal of Chemical Physics. 129. DOI: 10.1063/1.2957745  0.68
2008 K?os J, Alexander MH, Brouard M, Eyles CJ, Aoiz FJ. A new potential energy surface for OH (A 2+)-Ar: The van der Waals complex and scattering dynamics Journal of Chemical Physics. 129. DOI: 10.1063/1.2957745  0.4
2008 Han J, Heaven MC, Schnupf U, Alexander MH. Experimental and theoretical studies of the CN-Ar van der Waals complex Journal of Chemical Physics. 128. DOI: 10.1063/1.2834932  1
2008 Lique F, Tobo?a R, K?os J, Feautrier N, Spielfiedel A, Vincent LFM, Cha?asi?ski G, Alexander MH. Can we estimate H2(j = 0) rate coefficients from he rate coefficients? Application to the SiS molecule Astronomy and Astrophysics. 478: 567-574. DOI: 10.1051/0004-6361:20078650  1
2008 Lique F, Tobo?a R, K?os J, Feautrier N, Spielfiedel A, Vincent LFM, Cha?asi?ski G, Alexander MH. Can we estimate H2(j = 0) rate coefficients from he rate coefficients? Application to the SiS molecule Astronomy and Astrophysics. 478: 567-574. DOI: 10.1051/0004-6361:20078650  0.72
2008 Wen B, Kim Y, Meyer H, K?os J, Alexander MH. IR-REMPI double resonance spectroscopy: The near-IR spectrum of NO-Ar revisited Journal of Physical Chemistry A. 112: 9483-9493. DOI: 10.1021/jp802765z  0.68
2008 Wen B, Kim Y, Meyer H, K?os J, Alexander MH. IR-REMPI double resonance spectroscopy: The near-IR spectrum of NO-Ar revisited Journal of Physical Chemistry A. 112: 9483-9493. DOI: 10.1021/jp802765z  0.4
2008 K?os J, Lique F, Alexander MH. Quantum scattering of NO(X2Π) with He(1S): Temperature dependence of rotational (de)-excitation rate coefficients Chemical Physics Letters. 455: 1-5. DOI: 10.1016/j.cplett.2008.02.045  1
2007 Li G, Werner HJ, Lique F, Alexander MH. New ab initio potential energy surfaces for the F+ H2 reaction. The Journal of Chemical Physics. 127: 174302. PMID 17994813 DOI: 10.1063/1.2778421  1
2007 Li G, Werner HJ, Lique F, Alexander MH. New ab initio potential energy surfaces for the F+ H2 reaction. The Journal of Chemical Physics. 127: 174302. PMID 17994813 DOI: 10.1063/1.2778421  1
2007 K?os JA, Dagdigian PJ, Alexander MH. Theoretical study of the multiplet branching of the SD product in the S(1D)+D2-->SD(2Pi)+D reaction. The Journal of Chemical Physics. 127: 154321. PMID 17949163 DOI: 10.1063/1.2790441  1
2007 K?os JA, Dagdigian PJ, Alexander MH. Theoretical study of the multiplet branching of the SD product in the S(1D)+D2-->SD(2Pi)+D reaction. The Journal of Chemical Physics. 127: 154321. PMID 17949163 DOI: 10.1063/1.2790441  1
2007 Tao L, Alexander MH. Role of van der Waals resonances in the vibrational relaxation of HF by collisions with H atoms. The Journal of Chemical Physics. 127: 114301. PMID 17887831 DOI: 10.1063/1.2766716  1
2007 Che L, Ren Z, Wang X, Dong W, Dai D, Wang X, Zhang DH, Yang X, Sheng L, Li G, Werner HJ, Lique F, Alexander MH. Breakdown of the Born-Oppenheimer approximation in the F+ o-D2 -> DF + D reaction. Science (New York, N.Y.). 317: 1061-4. PMID 17717180 DOI: 10.1126/science.1144984  1
2007 Cleary PA, Dempsey LP, Murray C, Lester MI, K?os J, Alexander MH. Electronic quenching of OH A 2Sigma+ radicals in single collision events with molecular hydrogen: quantum state distribution of the OH X 2Pi products. The Journal of Chemical Physics. 126: 204316. PMID 17552771 DOI: 10.1063/1.2730505  1
2007 Tao L, Alexander MH. Role of van der Waals resonances in the vibrational relaxation of HF by collisions with H atoms Journal of Chemical Physics. 127. DOI: 10.1063/1.2766716  1
2007 Tao L, Alexander MH. Role of van der Waals resonances in the vibrational relaxation of HF by collisions with H atoms Journal of Chemical Physics. 127. DOI: 10.1063/1.2766716  1
2007 Toboła R, Kłos J, Lique F, Chałasinski G, Alexander MH. Rotational excitation and de-excitation of PN molecules by He atoms Astronomy and Astrophysics. 468: 1123-1127. DOI: 10.1051/0004-6361:20077339  1
2007 K?os J, Lique F, Alexander MH. Temperature dependence of rotational excitation rate coefficients of OH(X2Π) in collision with He Chemical Physics Letters. 445: 12-16. DOI: 10.1016/j.cplett.2007.07.035  1
2007 K?os J, Lique F, Alexander MH. Temperature dependence of rotational excitation rate coefficients of OH(X2Π) in collision with He Chemical Physics Letters. 445: 12-16. DOI: 10.1016/j.cplett.2007.07.035  0.72
2007 Ayles VL, Plowright RJ, Watkins MJ, Wright TG, K?os J, Alexander MH, Pajón-Suárez P, Rubayo-Soneira J, Hernández-Lamoneda R. The over(A, ∼)2 Σ+ state of NO-Ne Chemical Physics Letters. 441: 181-186. DOI: 10.1016/j.cplett.2007.05.019  1
2007 Ayles VL, Plowright RJ, Watkins MJ, Wright TG, K?os J, Alexander MH, Pajón-Suárez P, Rubayo-Soneira J, Hernández-Lamoneda R. The over(A, ∼)2 Σ+ state of NO-Ne Chemical Physics Letters. 441: 181-186. DOI: 10.1016/j.cplett.2007.05.019  1
2006 Atahan S, Kłos J, Zuchowski PS, Alexander MH. An ab initio investigation of the O(3P)-H2(1sigma(g)+) van der Waals well. Physical Chemistry Chemical Physics : Pccp. 8: 4420-6. PMID 17001409 DOI: 10.1039/b608871f  1
2006 Atahan S, Alexander MH. Coupled-states statistical investigation of vibrational and rotational relaxation of OH(2pi) by collisions with atomic hydrogen. The Journal of Physical Chemistry. A. 110: 5436-45. PMID 16623472 DOI: 10.1021/jp055860m  1
2006 Wang Q, Alexander MH. Path-integral Monte Carlo simulation of the recombination of two Al atoms embedded in parahydrogen. The Journal of Chemical Physics. 124: 034502. PMID 16438592 DOI: 10.1063/1.2158994  1
2005 Atahan S, Alexander MH, Rackham EJ. Cross sections and thermal rate constants for the isotope exchange reaction: D(2S)+OH(2Pi)-->OD(2Pi)+H(2S). The Journal of Chemical Physics. 123: 204306. PMID 16351255 DOI: 10.1063/1.2098668  1
2005 Chao SD, Lin SH, Alexander MH. Quantum state-to-state rate constants for the rotationally inelastic collision of CH(B2Sigma(-), nu=0, N-->N') with Ar. The Journal of Chemical Physics. 123: 194304. PMID 16321085 DOI: 10.1063/1.2118547  1
2005 Wang Q, Alexander MH. Path integral Monte Carlo simulation of the absorption spectra of an Al atom embedded in helium. The Journal of Chemical Physics. 123: 134319. PMID 16223300 DOI: 10.1063/1.2037588  1
2004 Alexander MH, Capecchi G, Werner HJ. Details and consequences of the nonadiabatic coupling in the Cl(2P) + H2 reaction. Faraday Discussions. 127: 59-72. PMID 15471340  1
2004 Tzeng YR, Alexander MH. Angular distributions for the F+H(2)-->HF+H reaction: the role of the F spin-orbit excited state and comparison with molecular beam experiments. The Journal of Chemical Physics. 121: 5812-20. PMID 15367007 DOI: 10.1063/1.1784446  1
2004 Alexander MH, Rackham EJ, Manolopoulos DE. Product multiplet branching in the O(1D) + H2-->OH(2Pi) + H reaction. The Journal of Chemical Physics. 121: 5221-35. PMID 15352815 DOI: 10.1063/1.1779574  1
2004 Tzeng YR, Alexander MH. Role of the F spin-orbit excited state in the F+HD reaction: contributions to the dynamical resonance. The Journal of Chemical Physics. 121: 5183-90. PMID 15352811 DOI: 10.1063/1.1781155  1
2004 Kim Y, Meyer H, Alexander MH. Molecular beam scattering of NO+Ne: a joint theoretical and experimental study. The Journal of Chemical Physics. 121: 1339-49. PMID 15260677 DOI: 10.1063/1.1763149  1
2004 Manolopoulos DE, Alexander MH. A simple theoretical study of the ClH2 - photoelectron spectrum Physical Chemistry Chemical Physics. 6: 4984-4990. DOI: 10.1039/b411391h  1
2004 Balucani N, Skouteris D, Capozza G, Segoloni E, Casavecchia P, Alexander MH, Capecchi G, Werner HJ. The dynamics of the prototype abstraction reaction Cl(2P 3/2,1/2) + H2: A comparison of crossed molecular beam experiments with exact quantum scattering calculations on coupled ab initio potential energy surfaces Physical Chemistry Chemical Physics. 6: 5007-5017. DOI: 10.1039/b410119g  1
2004 Tzeng YR, Alexander M. Reactivity of the F spin-orbit excited state in the F + HD reaction: Product translational and rotational energy distributions Physical Chemistry Chemical Physics. 6: 5018-5025. DOI: 10.1039/b409685a  1
2004 Alexander MH, Capecchi G, Werner HJ. Details and consequences of the nonadiabatic coupling in the Cl( 2P) + H2 reaction Faraday Discussions. 127: 59-72. DOI: 10.1039/b314189f  1
2004 Tao C, Dagdigian PJ, Alexander MH. Experimental and theoretical investigation of the 3s ← 2p transition in the BNe2 complex Chemical Physics Letters. 392: 151-155. DOI: 10.1016/j.cplett.2004.04.116  1
2003 Balucani N, Skouteris D, Cartechini L, Capozza G, Segoloni E, Casavecchia P, Alexander MH, Capecchi G, Werner HJ. Differential cross sections from quantum calculations on coupled Ab initio potential energy surfaces and scattering experiments for Cl(2P)+H2 reactions. Physical Review Letters. 91: 013201. PMID 12906538  1
2003 Tao C, Tan X, Dagdigian PJ, Alexander MH. Experimental and theoretical investigation of the AlH b 3Σ- - a 3Π electronic transition Journal of Chemical Physics. 118: 10477-10484. DOI: 10.1063/1.1573191  1
2003 Alexander MH. Theoretical investigation of the lower bend-stretch states of the Cl-H2 anion complex and its isotopomers Journal of Chemical Physics. 118: 9637-9642. DOI: 10.1063/1.1533034  1
2003 Balucani N, Skouteris D, Cartechini L, Capozza G, Segoloni E, Casavecchia P, Alexander MH, Capecchi G, Werner HJ. Differential cross sections from quantum calculations on coupled ab initio potential energy surfaces and scattering experiments for Cl(2P) + H2 reactions Physical Review Letters. 91: 013201/1-013201/4.  1
2002 Alexander MH, Capecchi G, Werner HJ. Theoretical study of the validity of the Born-Oppenheimer approximation in the Cl + H2 --> HCl + H reaction. Science (New York, N.Y.). 296: 715-8. PMID 11976448 DOI: 10.1126/science.1070472  1
2002 Wang Q, Alexander MH, Krumrine JR. An ab initio based model for the simulation of multiple 2P atoms embedded in a cluster of spherical ligands, with application to Al in solid para-hydrogen Journal of Chemical Physics. 117: 5311-5318. DOI: 10.1063/1.1499490  1
2002 Tao C, Teslja A, Dagdigian PJ, Atahan S, Alexander MH. Laser spectroscopic study of the SiAr van der Waals complex Journal of Chemical Physics. 116: 9239-9248. DOI: 10.1063/1.1473814  1
2002 Nizamov B, Yang X, Dagdigian PJ, Alexander MH. Experimental and theoretical study of state-resolved electronically inelastic collisions of highly rotationally excited CN(A2Π) with argon and helium: The role of gateway levels Journal of Physical Chemistry A. 106: 8345-8354. DOI: 10.1021/jp014691c  1
2002 Mirijanian DT, Alexander MH, Voth GA. Path integral molecular dynamics simulation of solid para-hydrogen with an aluminum impurity Chemical Physics Letters. 365: 487-493. DOI: 10.1016/S0009-2614(02)01505-1  1
2001 Kohguchi H, Suzuki T, Alexander MH. Fully state-resolved differential cross sections for the inelastic scattering of the open-shell NO molecule by Ar. Science (New York, N.Y.). 294: 832-4. PMID 11679664 DOI: 10.1126/science.1063774  1
2001 Tan X, Dagdigian PJ, Alexander MH. Electronic spectroscopy and excited state dynamics of the Al-H2/D2 complex. Faraday Discussions. 387-404; discussion . PMID 11605277  1
2001 Nizamov B, Dagdigian PJ, Alexander MH. State-resolved rotationally inelastic collisions of highly rotationally excited CN(A2Π) with helium: Influence of the interaction potential Journal of Chemical Physics. 115: 8393-8402. DOI: 10.1063/1.1409358  1
2001 Nizamov B, Dagdigian PJ, Tzeng YR, Alexander MH. Experimental and theoretical study of Λ-doublet resolved rotationally inelastic collisions of highly rotationally excited CH(A2Δ, v=0) with Ar Journal of Chemical Physics. 115: 800-809. DOI: 10.1063/1.1377599  1
2001 Tan X, Dagdigian PJ, Williams J, Alexander MH. Experimental and theoretical investigation of the rotational structure of the Ai-H2/D2 complex Journal of Chemical Physics. 114: 8938-8947. DOI: 10.1063/1.1368387  1
2001 Alexander MH, Soldán P, Wright TG, Kim Y, Meyer H, Dagdigian PJ, Lee EPF. The NO(X2Π)-Ne complex. II. Investigation of the lower bound states based on new potential energy surfaces Journal of Chemical Physics. 114: 5588-5597. DOI: 10.1063/1.1349086  1
2001 Kind M, Stuhl F, Tzeng YR, Alexander MH, Dagdigian PJ. Fine-structure state resolved rotationally inelastic collisions of CH(A2Δ, v = 0) with Ar: A combined experimental and theoretical study Journal of Chemical Physics. 114: 4479-4489. DOI: 10.1063/1.1346642  1
2001 Alexander MH. Path-integral simulation of finite-temperature properties of systems involving multiple, coupled electronic states Chemical Physics Letters. 347: 436-442. DOI: 10.1016/S0009-2614(01)01012-0  1
2000 Van Beek MC, Ter Meulen JJ, Alexander MH. Rotationally inelastic collisions of OH(X2Π) + Ar. II. The effect of molecular orientation Journal of Chemical Physics. 113: 637-646. DOI: 10.1063/1.481840  1
2000 Van Beek MC, Ter Meulen JJ, Alexander MH. Rotationally inelastic collisions of OH(X2II) + Ar. I. State-to-state cross sections Journal of Chemical Physics. 113: 628-636. DOI: 10.1063/1.481839  1
2000 Kim Y, Fleniken J, Meyer H, Alexander MH, Dagdigian PJ. Joint theoretical-experimental investigation of the lower bound states of the NO(X2Π)-Ar complex Journal of Chemical Physics. 113: 73-85. DOI: 10.1063/1.481776  1
2000 Krumrine JR, Jang S, Alexander MH, Voth GA. Quantum molecular dynamics and spectral simulation of a boron impurity in solid para-hydrogen Journal of Chemical Physics. 113: 9079-9089. DOI: 10.1063/1.1318225  1
2000 Islam M, Smith IWM, Alexander MH. State-to-state rate coefficients for transfer from the rotational levels J = 7.5, 20.5, 31.5 and 40.5 in NO(X 2II( 1/2 ), v = 2) in collisions with He, Ar and N2 and for J = 7.5, 20.5 and 31.5 in collisions with NO: Comparisons between experiment and theory Physical Chemistry Chemical Physics. 2: 473-479. DOI: 10.1039/a906693d  1
2000 Alexander MH, Manolopoulos DE, Werner HJ. An investigation of the F+H2 reaction based on a full ab initio description of the open-shell character of the F(2P) atom Journal of Chemical Physics. 113: 11084-11100.  1
2000 Alexander MH, Stolte S. Investigation of steric effects in inelastic collisions of NO(X2Π) with Ar Journal of Chemical Physics. 112: 8017-8026.  1
2000 Williams J, Alexander MH. Potential energy surfaces for and energetics of the weakly-bound Al-H2 and B-H2 complexes Journal of Chemical Physics. 112: 5722-5730.  1
2000 Krumrine JR, Alexander MH, Yang X, Dagdigian PJ. Experimental and theoretical study of the electronic spectrum of the BAr2 complex: Transition to the excited valence B(2s2p22D) state Journal of Chemical Physics. 112: 5037-5043.  1
2000 Yang X, Dagdigian PJ, Alexander MH. Experimental and theoretical study of rotationally inelastic collisions of highly rotationally excited CN(A2Π) with Ar Journal of Chemical Physics. 112: 4474-4484.  1
2000 Alexander MH, Yang X, Dagdigian PJ, Berning A, Werner HJ. Potential energy surfaces for the CN(X 2Σ+, A 2Π) Ar system and inelastic scattering within the A state Journal of Chemical Physics. 112: 781-791.  1
1999 Alexander MH. Polarization and steric effects in inelastic collisions of NO(X 2II) with Ar and He Faraday Discussions. 113: 437-454.  1
1999 Alexander MH. A new, fully ab initio investigation of the ArNO(X 2Π) system. II. Bound states of the Ar-NO complex Journal of Chemical Physics. 111: 7435-7439.  1
1999 Alexander MH. A new, fully ab initio investigation of the NO(X 2Π)Ar system. I. Potential energy surfaces and inelastic scattering Journal of Chemical Physics. 111: 7428-7434.  1
1999 Islam M, Smith IWM, Alexander MH. Rate constants for total relaxation from the rotational levels J = 7.5, 20.5, 31.5 and 40.5 in NO(X2Π1/2, v = 2) in collisions with He, Ar and N2: A comparison between experiment and theory Chemical Physics Letters. 305: 311-318.  1
1998 Alexander MH, Werner HJ, Manolopoulos DE. Spin-orbit effects in the reaction of F(2P) with H2 Journal of Chemical Physics. 109: 5710-5713. DOI: 10.1063/1.477192  1
1998 James PL, Sims IR, Smith IWM, Alexander MH, Yang M. A combined experimental and theoretical study of rotational energy transfer in collisions between NO(X2Π1/2, v=3,J) and He, Ar and N2 at temperatures down to 7 K Journal of Chemical Physics. 109: 3882-3897. DOI: 10.1063/1.476517  1
1998 Alexander MH, Li X, Liyanage R, Gordon RJ. Spin-orbit branching in the predissociation of the C 1Π state of HCl and DCl: A manifestation of quantum interference Chemical Physics. 231: 331-343.  1
1998 Alexander MH. Theoretical investigation of weakly-bound complexes of O(3P) with H2 Journal of Chemical Physics. 108: 4467-4477.  1
1998 Lambert HM, Dagdigian PJ, Alexander MH. Spin-orbit branching in the photofragmentation of HCI at long wavelength Journal of Chemical Physics. 108: 4460-4466.  1
1998 Yang X, Dagdigian PJ, Alexander MH. Experimental and theoretical study of the AlNe complex Journal of Chemical Physics. 108: 3522-3530.  1
1997 Yang M, Alexander MH. Adiabatic and diabatic potential-energy surfaces of the CN(X 2Σ+, a 2Π) Ne complex and nonadiabatic predissociation dynamics Journal of Chemical Physics. 107: 7148-7162.  1
1997 Drabbels M, Wodtke AM, Yang M, Alexander MH. Parity-resolved state-to-state cross sections for inelastic scattering of NO X 2Π1/2 (v = 20, J = 0.5, e/f) from He: A comparison between crossed molecular beams experiments and ab initio theory Journal of Physical Chemistry A. 101: 6463-6474.  1
1997 Neitsch L, Stuhl F, Dagdigian PJ, Alexander MH. Inelastic collisions of fine structure and Λ-doublet resolved rotational states of PH(A 3Π, v=0) with helium Journal of Chemical Physics. 106: 7642-7653.  1
1997 Alexander MH, Walton AR, Yang M, Yang X, Hwang E, Dagdigian PJ. A collaborative theoretical and experimental study of the structure and electronic excitation spectrum of the BAr and BAr2 complexes Journal of Chemical Physics. 106: 6320-6331.  1
1996 Neitsch L, Stuhl F, Dagdigian PJ, Alexander MH. State-resolved inelastic collisions of single rotational, fine-structure, and A doublet levels of NH(A3∏) with helium: A combined experimental and theoretical study Journal of Chemical Physics. 104: 1325-1337.  1
1996 Yang M, Alexander MH, Werner HJ, Bemish RJ. Ab initio and scaled potential energy surfaces for Ar-C2H2: Comparison with scattering and spectroscopic experiments Journal of Chemical Physics. 105: 10462-10471.  1
1996 Gregurick SK, Alexander MH, Hartke B. Global geometry optimization of (Ar)n and B(Ar)n clusters using a modified genetic algorithm Journal of Chemical Physics. 104: 2684-2691.  1
1995 Lester MI, Chuang CC, Andrews PM, Yang M, Alexander MH. Spin-orbit predissociation dynamics of NeOH (X 2Π]) Faraday Discussions. 102: 311-321. DOI: 10.1039/FD9950200311  1
1995 Yang M, Alexander MH. Fully ab initio investigation of bound and predissociating states of the NeOH(X) complex The Journal of Chemical Physics. 103: 3400-3417.  1
1995 Yang X, Hwang E, Alexander MH, Dagdigian PJ. Experimental investigation of weakly bound B(2p, 3s)-through laser flouresence excitation spectroscopy The Journal of Chemical Physics. 103: 7966-7974.  1
1995 Yang M, Alexander MH, Werner HJ, Hohmann J, Neitsch L, Stuhl F, Dagdigian PJ. The rotational relaxation of NH(c 1Π) in collisions with Ar: A combined theoretical and experimental investigation The Journal of Chemical Physics. 102: 4069-4083.  1
1995 Yang M, Alexander MH, Gregurick S, Dagdigian PJ. Theoretical study of the interaction of AlH(X 1Σ +, A 1π) with Ar: Potential energy surfaces and bend-stretch levels of the ArAlH(X,A) van der Waals complex The Journal of Chemical Physics. 102: 2413-2425.  1
1995 Yang M, Alexander MH. Ab initio potential energy surfaces and quantum scattering studies of NO(X 2Π) with He: Λ-doublet resolved rotational and electronic fine-structure transitions The Journal of Chemical Physics. 103: 6973-6983.  1
1995 Yang X, Hwang E, Dagdigian PJ, Yang M, Alexander MH. Experimental and theoretical study of the B-Ne nonbonding interaction: The free-bound B 2Σ+-X 2Π electronic transition The Journal of Chemical Physics. 103: 2779-2786.  1
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