Positions

Publications

Academic Article

Year Title
2012 A gas chromatographic instrument for measurement of hydrogen cyanide in the lower atmosphereAtmospheric Measurement Techniques.  5:1229-1240. 2012
2012 Calibration and intercomparison of acetic acid measurements using proton-transfer-reaction mass spectrometry (PTR-MS)Atmospheric Measurement Techniques.  5:2739-2750. 2012
2011 Adlayer morphologies and free energy landscapes of clusters of bis-fullerenes on model gold surfaces.Journal of Physical Chemistry A.  115:7044-7054. 2011
2011 Changes in monoterpene mixing ratios during summer storms in rural New Hampshire (USA)Atmospheric Chemistry and Physics.  11:11465-11476. 2011
2010 A Modeling Study of the Self-Assembly of Various Hydrogen-Bonding Fullerene Derivatives on Au(111)Journal of Physical Chemistry C.  114:13071-13082. 2010
2010 A comparison of GC-FID and PTR-MS toluene measurements in ambient air under conditions of enhanced monoterpene loadingAtmospheric Measurement Techniques.  3:959-980. 2010
2009 Structures of Binary C60-C84 fullerene clusters.Journal of Physical Chemistry A.  113:4598-4603. 2009
2009 Self-assembly and structural behavior of a model rigid C-60-terminated thiolate on Au(111)Chemical Physics Letters.  470:289-294. 2009
2007 Nighttime nitrate radical chemistry at Appledore island, Maine during the 2004 international consortium for atmospheric research on transport and transformationJournal of Geophysical Research.  112. 2007
2006 High-symmetry global minimum geometries for small mixed Ar/Xe Lennard-Jones clustersChemical Physics Letters.  418:79-83. 2006
2005 Phase changes in Lennard-Jones mixed clusters with composition Ar(n)Xe(6-n) (n=0,1,2).Journal of Chemical Physics.  123:94505. 2005
2005 Origin of the unusual kinetics of iron deposition in human H-chain ferritin.Journal of the American Chemical Society.  127:3885-3893. 2005
2000 Hot atom reaction yields in Mu(*)+H-2 and T-*+H-2 from quasiclassical trajectory cross sections on the Liu-Siegbahn-Truhlar-Horowitz surfaceJournal of Chemical Physics.  112:9390-9403. 2000
2000 Optimal annealing schedules for two-, three-, and four-level systems using a genetic algorithm approachJournal of Chemical Physics.  112:7964-7978. 2000
1998 An investigation of two approaches to basin hopping minimization for atomic and molecular clustersChemical Physics Letters.  289:463-468. 1998
1998 A study of genetic algorithm approaches to global geometry optimization of aromatic hydrocarbon microclustersJournal of Chemical Physics.  108:2208-2218. 1998
1998 Structure of Na(3 P-2)-Ar-n clusters using semiempirical potentialsJournal of Chemical Physics.  108:308-316. 1998
1997 Monte Carlo study of small benzene clusters .1. structure and internal motions - CommentJournal of Physical Chemistry B Journal of Physical Chemistry B Materials.  101:9137-9137. 1997
1997 Global optimization of atomic and molecular clusters using the space-fixed modified genetic algorithm methodJournal of Computational Chemistry.  18:1233-1244. 1997
1996 Minimization of small silicon clusters using the space-fixed modified genetic algorithm methodChemical Physics Letters.  261:576-582. 1996
1996 Global geometry optimization of atomic clusters using a modified genetic algorithm in space-fixed coordinatesJournal of Chemical Physics.  105:4700-4706. 1996
1994 GEOMETRY-DEPENDENT TRENDS IN THE SCATTERING OF VAN-DER-WAALS CLUSTERS FROM CRYSTAL-SURFACESJournal of Physical Chemistry.  98:8600-8605. 1994
1994 SEMICLASSICAL STUDY OF SUDDEN APPROXIMATIONS FOR ROTATIONALLY INELASTIC-SCATTERING OF AR+HFCanadian Journal of Chemistry.  72:985-994. 1994
1994 QUANTUM EFFECTS IN AR+HF ROTATIONALLY INELASTIC-SCATTERING - A SEMICLASSICAL INTERPRETATIONJournal of Chemical Physics.  100:304-314. 1994
1993 CLUSTER CATALYZED CHEMISORPTION OF H-2 ON SI(111)(1X1) - EFFECTS OF COLLISION SPEED AND CLUSTER GEOMETRYJournal of Chemical Physics.  99:6667-6676. 1993
1993 EVALUATION OF THERMAL RATES FOR REACTIONS WITH INTERMEDIATE WELLS - REMOVAL OF BOUND-STATE CONTRIBUTIONS TO QUANTUM FLUX CORRELATION-FUNCTIONSJournal of Chemical Physics.  99:3516-3525. 1993
1993 THE ROLE OF REACTANT ROTATION AND ROTATIONAL ALIGNMENT IN THE DISSOCIATIVE CHEMISORPTION OF HYDROGEN ON NI(100)Chemical Physics Letters.  205:515-520. 1993
1993 QUANTUM EFFECTS IN THE INELASTIC-SCATTERING OF HF AND DF BY ARGONChemical Physics Letters.  202:291-296. 1993
1993 CLUSTER CATALYZED CHEMISORPTION OF H2 ON SI(111)(1X1)Surface Science.  280:L253-L258. 1993
1992 ISOTOPE EFFECTS IN HD(G)+W(001)Chemical Physics Letters.  193:115-122. 1992
1991 CLASSICAL TRAJECTORY CALCULATIONS ON GAS-PHASE REACTIVE COLLISIONSInternational Reviews in Physical Chemistry.  10:107-121. 1991
1990 EFFECT OF REACTANT ROTATION ON HYDROGEN-ATOM TRANSFERJournal of the American Chemical Society.  112:8165-8166. 1990
1990 THE SCATTERING OF VANDERWAALS DIMERS FROM CRYSTAL-SURFACES - AN EXTENSION OF THE BINARY COLLISION MODELChemical Physics Letters.  173:189-194. 1990
1989 THE EFFECT OF REAGENT ROTATION ON CHEMICAL-REACTIVITY - F + H-2 REVISITEDJournal of Chemical Physics.  91:6906-6918. 1989
1989 THE EFFECT OF REAGENT ROTATION ON REACTIVITY - CLASSICAL DECOUPLING APPROXIMATIONSChemical Physics Letters.  158:356-361. 1989
1988 A STATIONARY PHASE STUDY OF MJ RAINBOWS IN MOLECULE-CORRUGATED SURFACE SCATTERINGJournal of Chemical Physics.  89:6515-6522. 1988
1988 EFFECT OF REAGENT ROTATION ON HYDROGEN ISOTOPE BRANCHING RATIOSJournal of Physical Chemistry.  92:6289-6293. 1988
1988 THE EFFECT OF REAGENT ROTATION IN THE REACTION OH(J)+H2(J')-]H2O+HJournal of Chemical Physics.  88:7424-7433. 1988
1987 MJ RAINBOWS IN MOLECULE SURFACE SCATTERINGChemical Physics Letters.  140:520-524. 1987
1987 THE EFFECT OF OH ROTATION ON THE REACTION OH(V=0,J)+H-2-]H20+HJournal of Chemical Physics.  87:3698-3699. 1987
1987 EFFECT OF REACTANT ROTATION ON REACTIVITY - COMPARISON OF EXACT COPLANAR RESULTS AND A MODEL CALCULATION FOR H + H-2Journal of Physical Chemistry.  91:1400-1404. 1987
1987 THE EFFECT OF POTENTIAL PARAMETERS ON ALIGNMENT IN MOLECULE-CRYSTAL COLLISIONSChemical Physics Letters.  133:415-419. 1987
1987 THE EFFECT OF REAGENT ROTATION ON STERIC REQUIREMENTS OF ELEMENTARY EXCHANGE-REACTIONS - COMMENTChemical Physics Letters.  133:185-186. 1987
1986 MOLECULAR-BEAM SCATTERING MEASUREMENTS OF DIFFERENTIAL CROSS-SECTIONS FOR D+H2(V=0)-]HD+H AT ECM=1.5 EVJournal of Chemical Physics.  85:6396-6419. 1986
1986 EFFECT OF REACTANT ROTATION ON REACTIVITY - A COMPARISON OF CLASSICAL AND QUANTUM EFFECTS IN A MODEL SYSTEMChemical Physics Letters.  130:249-253. 1986
1986 TOTAL REACTION PROBABILITIES FOR TRANSLATIONALLY HOT (3.7 EV) D-ATOMS REACTING WITH H-2 AND THEIR ASTROPHYSICAL IMPLICATIONSInternational Journal of Chemical Kinetics.  18:977-991. 1986
1985 DYNAMICS OF NONADIABATIC REACTIONS (THEORY) .1. BRANCHING RATIOS FOR EARLY AND LATE SEAMSJournal of Chemical Physics.  82:161-169. 1985
1985 DYNAMICS OF NONADIABATIC REACTIONS (THEORY) .2. PRODUCT VIBRATIONAL-EXCITATIONJournal of Chemical Physics.  82:170-174. 1985
1985 THE EFFECT OF SURFACE CORRUGATION ON MOLECULE-CRYSTAL COLLISIONSChemical Physics Letters.  119:533-537. 1985
1984 EFFECT OF REAGENT ROTATION ON BIMOLECULAR COLLISIONS - H + H2(J)Chemical Physics Letters.  108:67-70. 1984
1984 MOLECULAR-BEAM MEASUREMENTS OF DIFFERENTIAL CROSS-SECTIONS FOR THE REACTION D+H2-]HD+HATECM=1.0EVJournal of Chemical Physics.  80:2230-2232. 1984
1984 ROTATIONAL ENERGY-TRANSFER IN H + H-2(V) INELASTIC-COLLISIONSJournal of Chemical Physics.  81:2684-2688. 1984
1984 ROTATIONALLY INELASTIC-COLLISIONS STUDIED BY USING MODEL POTENTIAL-ENERGY SURFACES .1. POLARIZATION AND RAINBOW EFFECTS AND THEIR DEPENDENCE ON THE ATTRACTIVE WELLJournal of Physical Chemistry.  88:883-891. 1984
1984 SPECTROSCOPY OF THE TRANSITION-STATE (THEORY) .2. ABSORPTION BY H-3 TRANSITION-STATE IN H+H-2-]H3 TRANSITION-STATE -] H-2+HJournal of Chemical Physics.  80:4025-4034. 1984
1984 SPECTROSCOPY OF THE TRANSITION-STATE (THEORY) .3. ABSORPTION BY H-3++ IN THE 3-DIMENSIONAL REACTION H+H2Journal of Physical Chemistry.  88:4064-4068. 1984
1983 AN INVESTIGATION OF THE ORIGIN OF STRUCTURE IN THE 3-DIMENSIONAL F+H2 REACTIONChemical Physics Letters.  95:33-37. 1983
1982 A SIMPLE TECHNIQUE FOR OBTAINING REACTIVE DIFFERENTIAL CROSS-SECTIONS FROM HIGHLY-AVERAGED TRAJECTORY DATAChemical Physics Letters.  86:33-37. 1982
1982 CLASSICAL DEPENDENCE OF POLARIZATION ON POTENTIAL-ENERGY SURFACE IN ROTATIONALLY INELASTIC-COLLISIONSChemical Physics Letters.  85:456-460. 1982
1982 REACTIVE CROSS-SECTIONS FOR ISOTOPIC VARIANTS OF THE H'+H''BR ABSTRACTION REACTION - A CLASSICAL TRAJECTORY STUDYJournal of Chemical Physics.  76:938-944. 1982
1981 ISOTOPE EFFECTS IN ABSTRACTION AND EXCHANGE-REACTIONS H + H'BRInternational Journal of Chemical Kinetics.  13:845-854. 1981
1981 QUASI-PERIODIC MOTION IN COLLINEAR HEH2+Chemical Physics Letters.  81:508-512. 1981
1981 QUASICLASSICAL TRAJECTORY STUDIES OF THE H+H-2 REACTION ON AN ACCURATE POTENTIAL-ENERGY SURFACE .3. COMPARISON OF RATE CONSTANTS AND CROSS-SECTIONS WITH EXPERIMENTJournal of Chemical Physics.  75:1794-1803. 1981
1981 QUASICLASSICAL TRAJECTORY STUDIES OF THE H+H2 REACTION ON AN ACCURATE POTENTIAL-ENERGY SURFACE .2. EFFECT OF INITIAL VIBRATION AND ROTATION ON REACTIVITYJournal of Chemical Physics.  74:1017-1025. 1981
1981 VIBRATIONAL RAINBOWSJournal of Chemical Physics.  75:196-202. 1981
1980 INTEGRAL AND DIFFERENTIAL CROSS-SECTIONS FOR THE H2(NU-I=1) + H REACTION - A COMPARISON BETWEEN AVERAGE-L LABELED INFINITE-ORDER SUDDEN APPROXIMATION AND CLASSICAL TREATMENTSChemical Physics Letters.  72:269-274. 1980
1980 QUASICLASSICAL TRAJECTORY STUDIES OF H+H-2 ON AN ACCURATE POTENTIAL-ENERGY SURFACE .1. ISOTOPE EFFECTSJournal of Chemical Physics.  73:217-225. 1980
1979 APPLICATION OF NON-INTEGER BESSEL UNIFORM APPROXIMATION TO INELASTIC MOLECULAR-COLLISIONSMolecular Physics.  37:15-25. 1979
1979 NON-INTEGER BESSEL UNIFORM APPROXIMATION FOR USE IN SEMI-CLASSICAL COLLISION THEORYMolecular Physics.  37:1-13. 1979
1979 QUASICLASSICAL CROSS-SECTIONS FOR THE H+H2(O,O)-]H+H2 REACTION - COMPARISON OF THE SIEGBAHN-LIU-TRUHLAR-HOROWITZ AND THE PORTER-KARPLUS POTENTIAL SURFACESJournal of Chemical Physics.  70:5314-5315. 1979
1979 QUASICLASSICAL TRAJECTORY CALCULATIONS FOR H+H2 (NU=1) ON A NEW POTENTIAL-ENERGY SURFACEChemical Physics Letters.  66:4874-4492. 1979
1976 SEMICLASSICAL THEORY OF MOLECULAR-COLLISIONS - COLLINEAR ATOM HARMONIC-OSCILLATOR COLLISIONS WITH ATTRACTIVE INTERACTIONSMolecular Physics.  32:1123-1135. 1976

Conference Proceeding

Year Title
2006 Nighttime oxidation of VOCs at a remote location during ICARTT 2004ACS National Meeting Book of Abstracts. 2006
2006 Reaction of chlorine atoms with monoterpene-air mixturesACS National Meeting Book of Abstracts. 2006
2005 Properties of small mixed argon-xenon Lennard-Jones clustersACS National Meeting Book of Abstracts. U2859-U2859. 2005
2005 Density functional study of the chlorine plus peroxymethyl radical reaction.ACS National Meeting Book of Abstracts. U744-U744. 2005
1999 Pericyclic routes to strained molecules: Theoretical and experimental studies.ACS National Meeting Book of Abstracts. U88-U88. 1999
1993 EVALUATION OF THERMAL RATES FOR REACTIONS WITH INTERMEDIATE WELLS - REMOVAL OF BOUND-STATE CONTRIBUTIONS TO QUANTUM FLUX CORRELATION-FUNCTIONSACS National Meeting Book of Abstracts. 202-PHYS. 1993
1990 SCATTERING OF VANDERWAALS CLUSTERS FROM SOLID-SURFACES - A THEORETICAL TREATMENTACS National Meeting Book of Abstracts. 67-PHYS. 1990
1990 THE ROLE OF REAGENT ROTATION IN PROMOTING HEAVY+LIGHT-HEAVY REACTIONSACS National Meeting Book of Abstracts. 109-PHYS. 1990
1988 ANGULAR-MOMENTUM ALIGNMENT IN MOLECULE-CRYSTAL COLLISIONSACS National Meeting Book of Abstracts. 234-PHYS. 1988
1988 EFFECT OF REAGENT ROTATION ON THE REACTION OH + H-2-] H2O + HACS National Meeting Book of Abstracts. 167-PHYS. 1988
1982 ENERGY-REQUIREMENTS AND ENERGY DISPOSAL IN SIMPLE EXCHANGE-REACTIONSACS National Meeting Book of Abstracts. 122-PHYS. 1982

Teaching Activities

  • General Chemistry I Taught course 2018
  • Physical Chemistry III Taught course 2018
  • Chem Principles for Engineers Taught course 2018
  • Physical Chemistry I Taught course 2017
  • Physical Chemistry III Taught course 2017
  • Physical Chemistry II Taught course 2017
  • Hon/The Story of Oxygen Taught course 2016
  • Physical Chemistry III Taught course 2016
  • Doctoral Research Taught course 2016
  • Hon/The Story of Oxygen Taught course 2016
  • Independent Study Taught course 2016
  • Physical Chemistry Laboratory Taught course 2016
  • Physical Chemistry Laboratory Taught course 2016
  • Physical Chemistry Laboratory Taught course 2016
  • Physical Chemistry Laboratory Taught course 2016
  • Physical Chemistry Laboratory Taught course 2016
  • Doctoral Research Taught course 2015
  • Graduate Writing Portfolio Taught course 2015
  • Physical Chemistry III Taught course 2015
  • Presentation Portfolio Taught course 2015
  • Sem/Analytical-Physical Taught course 2015
  • Advanced Physical Chemistry I Taught course 2014
  • Physical Chemistry III Taught course 2014
  • Physical Chemistry III Taught course 2014
  • Doctoral Research Taught course 2014
  • Graduate Writing Portfolio Taught course 2014
  • Physical Chemistry II Taught course 2014
  • Education And Training

  • B.S. Chemistry, University of Manchester
  • M.S. Theoretical&Math.L Physics, University of Manchester
  • Ph.D. Theoretical&Math.L Physics, University of Manchester
  • Full Name

  • Howard Mayne