Michael R. Baer

Michael R. Baer's AcademicInfluence.com Rankings

Michael R. Baer

Chemistry

#2569

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#3495

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Computational Chemistry

#18

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#18

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chemistry Degrees

Michael R. Baer

Physics

#4637

World Rank

#6338

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physics Degrees

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Chemistry
Physics

Michael R. Baer's Degrees

PhD Chemistry University of California, Berkeley
Bachelors Chemistry University of California, Berkeley

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Michael R. Baer's Published Works

Number of citations in a given year to any of this author's works

Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author

Published Works

The time‐dependent Schrödinger equation: Application of absorbing boundary conditions (1989) (460)
Beyond Born-Oppenheimer : conical intersections and electronic nonadiabatic coupling terms (2006) (399)
Adiabatic and diabatic representations for atom-molecule collisions: Treatment of the collinear arrangement (1975) (355)
The application of wave packets to reactive atom–diatom systems: A new approach (1989) (209)
Introduction to the theory of electronic non-adiabatic coupling terms in molecular systems (2002) (198)
Adiabatic and diabatic representations for atom-diatom collisions: Treatment of the three-dimensional case (1976) (143)
The application of time-dependent wavepacket methods to reactive scattering (1991) (129)
Incorporation of electronically nonadiabatic effects into bimolecular reactive systems. I. Theory (1977) (128)
Electronic non-adiabatic transitions derivation of the general adiabatic-diabatic transformation matrix (1980) (125)
A study of the diabatic electronic representation within the Born-Oppenheimer approximation (1992) (112)
A study of conical intersection effects on scattering processes: The validity of adiabatic single‐surface approximations within a quasi‐Jahn–Teller model (1996) (107)
A time‐dependent wave packet approach to atom–diatom reactive collision probabilities: Theory and application to the H+H2 (J=0) system (1990) (106)
A three-dimensional quantum mechanical study of vibrationally resolved charge transfer processes in H++H2 at Ecm=20 eV (1989) (94)
The role of degenerate states in chemistry (2002) (93)
Infinite order sudden approximation for reactive scattering. I. Basic l‐labeled formulation (1979) (82)
Isotopic reactive systems H+Cl2 and D+Cl2. A quantum mechanical treatment of the collinear arrangement (1974) (78)
Incorporation of electronically nonadiabatic effects into bimolecular reactive systems. II. The collinear (H2 + H+, H2+ + H) system (1977) (77)
A new accurate (time-independent) method for treating three-dimensional reactive collisions: The application of optical potentials and projection operators (1990) (75)
Extended approximated Born-Oppenheimer equation. I. Theory (2000) (74)
Time dependent three‐dimensional body frame quantal wave packet treatment of the H+H2 exchange reaction on the Liu–Siegbahn–Truhlar–Horowitz (LSTH) surface (1989) (71)
Quantum mechanical reactive scattering for planar atom plus diatom systems. I. Theory (1976) (69)
Coupled channel operator approach to e‐H scattering (1973) (66)
Collinear quantum mechanical calculations of the He + H+2 proton transfer reactions (1974) (66)
Quantized non-adiabatic coupling terms to ensure diabatic potentials (2000) (66)
Total integral reactive cross sections for F + H2 → HF + H: comparison of converged quantum, quasiclassical trajectory and experimental results (1991) (62)
Quantum mechanical treatment of the F+D2→DF+D reaction (1983) (58)
Three‐dimensional quantum mechanical study of the Li+HF→LiF+H process: Calculation of integral and differential cross sections (1994) (56)
Time-dependent (wavepacket) quantum approach to reactive scattering: Vibrationally resolved reaction probabilities for F+H2→HF+H (1990) (56)
A modified Born-Oppenheimer equation: application to conical intersections and other types of singularities (1997) (54)
Collinear quantum mechanical treatment of the heavy−light−heavy mass combination: Cl+HBr→HCl+Br (1975) (54)
Quantum mechanical integral cross sections and rate constants for the F¿HD reactions (2000) (54)
The adiabatic‐diabatic approach to vibrational inelastic scattering: Theory and study of a simple collinear model (1980) (53)
A THREE-DIMENSIONAL QUANTUM MECHANICAL STUDY OF THE H+H2+ H2+H+ SYSTEM : COMPETITION BETWEEN CHEMICAL EXCHANGE AND INELASTIC PROCESSES (1997) (53)
The application of optical potentials for reactive scattering - A case study (1990) (52)
The Electronic Adiabatic-Diabatic Transformation Matrix: A Theoretical and Numerical Study of a Three-State System (2000) (51)
Electronic transitions in the ion-molecule reaction (Ar/sup +/ + H/sub 2/ bold-arrow-left-right Ar + H/sub 2//sup +/). -->. ArH/sup +/ + H (1979) (50)
Extended approximated Born-Oppenheimer equation. II. Application (2000) (49)
A three-dimensional quantum mechanical study of the F + H2/D2 reactions. On a new potential energy surface (1996) (47)
Electronic transitions in the ion-molecule reaction ( Ar + + H 2 →Ar + H 2 + )→Ar H + + H (1979) (47)
Topological effects in molecular systems: an attempt towards a complete theory (2000) (44)
A quasiclassical trajectory study of the F+HH⇄FH+H reaction (1983) (44)
D matrix analysis of the Renner-Teller effect: an accurate three-state diabatization for NH2. (2006) (44)
Existence of Diabatic Potentials and the Quantization of the Nonadiabatic Matrix (2000) (43)
On phase factors and geometric phases in isotopes of H3: A line integral study (2000) (42)
Infinite order sudden approximation for reactive scattering. II. Computational tests for H+H2 (1981) (42)
Theoretical and experimental total state-selected and state-to-state cross sections. III, The (Ar+H2)+ system (1990) (42)
ON THE LONGUET-HIGGINS PHASE AND ITS RELATION TO THE ELECTRONIC ADIABATIC-DIABATIC TRANSFORMATION ANGLE (1997) (42)
A three dimensional quantum mechanical theory to treat tetra‐atom reactions: State‐to‐state cross sections for the H2+OH→H2O+H process (1994) (41)
A new accurate (time-independent) method for treating reactive collisions: conversion of a scattering problem into a bound problem (1990) (41)
Experimental and theoretical total state-selected and state-to-state absolute cross sections. II, The Ar+(2P3/2,1/2)+H2 reaction (1990) (41)
Semiempirical three‐dimensional potential energy surfaces suitable for both reaction channels of the XH2 system (X = F, Cl) (1981) (40)
Exchange Processes via Electronic Nonadiabatic Transitions: An Accurate Three-Dimensional Quantum Mechanical Study of the F(2P1/2, 2P3/2) + H2 Reactive Systems (1994) (40)
A survey of ab initio conical intersections for the H+H2 system (2003) (39)
State-to-state differential cross sections for the reaction F+D2 at 90 meV: A crossed molecular beam experiment and a quantum mechanical study (1998) (39)
New implementation to approximate quantum mechanical treatment of atom-diatom chemical reactions (1986) (39)
A three‐dimensional, quantum mechanical study of exchange and charge transfer processes in the (Ar+H2)+ system (1987) (39)
A new time-independent approach to the study of atom-diatom reactive collisions: Theory and application (1990) (38)
The collinear Cl + XY system (X,Y=H,D,T). A comparison between quantum mechanical, classical, and transition state theory results (1974) (37)
On diabatization and the topological D-matrix: theory and numerical studies of the H + H2 system and the C2H2 molecule. (2004) (36)
N-state adiabatic-to-diabatic transformation angle: theory and application. (2005) (36)
Three‐dimensional DIM‐3C potential energy surfaces for the reactions H+XY and X+HY (X,Y=F, Cl, Br, I) (1984) (36)
Adiabaticity of the nonreactive bond in atom-triatom reactions: a quantum mechanical study of the hydrogen atom + water .fwdarw. hydroxyl + hydrogen system (1993) (36)
Accurate 3 dimensional quantum dynamical study of the Ne+H2+→NeH++H reaction (1999) (35)
Nonadiabatic effects in molecular adiabatic systems: Application to linear plus quadratic E⊗e system (1997) (34)
An exact quantum mechanical study of the isotopic collinear reactive systems H2 + Cl and D2 + Cl (1974) (34)
The application of negative imaginary arrangement decoupling potentials to reactive scattering: Conversion of a reactive scattering problem into a bound-type problem (1992) (34)
Renner-Teller/Jahn-Teller intersections along the collinear axes of polyatomic molecules: C2H2 + as a case study. (2007) (34)
Integral and differential state‐to‐state cross‐sections for the reactions F+D2(vi=0,ji)→DF(vf,jf)+D: A comparison between three‐dimensional quantum mechanical and experimental results (1996) (33)
Weak and strong interactions in chemical reactions (1975) (33)
Probing the nature of surface intersection by ab initio calculations of the nonadiabatic coupling matrix elements: A conical intersection due to bending motion in C2H (2000) (32)
Comparison of quantum mechanical and quasi-classical calculations of collinear reaction rate constants for the H+Cl2 and D+Cl2 systems (1976) (32)
Quantal and semiclassical studies of reactions in strong laser fields: F(2P3/2, 2P1/2)+H2+ℏω (0.117, 0.469, 1.17 eV) (1985) (32)
Quantum mechanical study of the D+H2→HD+H reaction (1985) (32)
Molecular symmetry properties of conical intersections and nonadiabatic coupling terms: theory and quantum chemical demonstration for cyclopenta-2,4-dienimine (C5H4NH). (2010) (31)
Resonances in collinear He + H2+ collisions (1987) (31)
Renner-Teller intersections along the collinear axes of polyatomic molecules: H2CN as a case study. (2010) (31)
Rotationally resolved differential scattering cross sections for the reaction F+para-H2 (v=0, j=0)→HF(v′=2, 3, j′)+H (1999) (30)
Three‐dimensional quantum mechanical rate constants for the reaction O+O3→2O2, employing a six‐dimensional potential energy surface (1995) (30)
A three‐dimensional quantum mechanical study of the H2+H+2 system: Calculation of reactive and charge transfer cross sections (1990) (30)
Renner-Teller nonadiabatic coupling terms: An ab-initio study of the HNH molecule. (2006) (29)
Theory of Reactive Scattering. IV. Exact Quantum Mechanical Study of Angular Independent and Angular Dependent Models for Three Dimensional Rearrangement Collisions (1972) (29)
The study of conical intersections between consecutive pairs of the five lowest 2A′ states of the C2H molecule (2001) (29)
Quantization of the 3×3 nonadiabatic coupling matrix for three coupled states of the C2H molecule (2002) (29)
Conical intersections induced by the Renner effect in polyatomic molecules (2007) (28)
Quantum-mechanical state-to-state differential cross sections for the F+H/sub 2/. -->. H+HF reaction (1981) (28)
Variational principles for reactive collisions based on the generalized Lagrange multiplier method (1992) (28)
An intraline of conical intersections for methylamine. (2008) (28)
Three-Dimensional Study of Reactive Diatom-Diatom Systems: Quantum Mechanical State-to-State Cross Sections for the H2 + OX - H + XOH (X = H, D) Reactions (1994) (27)
A study of the quantal time delay matrix in collinear reactive scattering (1985) (27)
Exact quantum mechanical study of kinetic isotope effects in the collinear reaction Cl + H2 → HCl + H. The H2/D2 and the H2/T2 isotope effects (1974) (27)
Experimental and theoretical total state-selected and state-to-state absolute cross sections. II. The Ar sup + ( sup 2 P sub 3/2,1/2 )+H sub 2 reaction (1990) (27)
Electronic nonadiabatic transitions in the reactive (Ar+ + H2, Ar + H+2, ArH+ + H) system. Numerical results for the collinear configuration (1977) (26)
A comparison between theoretical and experimental state‐to‐state charge transfer cross sections for H++H2 at 20 eV: Evidence for quantum effects (1988) (26)
Integral and differential cross sections for the H2(ui = 1) + H reaction. A comparison between average-/ labelled infinite-order sudden approximation and classical treatments (1980) (26)
Infinite order sudden approximation for reactive scattering within classical mechanics. I. Theory (1982) (26)
Electronic non-adiabatic transitions in the reaction Ar++H2(vi =0)→ArH++H (1978) (26)
General Born–Oppenheimer–Huang approach to systems of electrons and nuclei (2003) (25)
A study of degenerate vibronic coupling effects on scattering processes: are resonances affected by degenerate vibronic coupling? (1997) (25)
Rearrangement-Channel Operator Approach to Models for Three-Body Reactions. I (1971) (24)
Ab initio non-adiabatic coupling elements: the conical intersection between the 22A′ and the 32A′ of the H+H2 system (2002) (24)
Time-dependent and time-independent approaches to study effects of degenerate electronic states (1998) (24)
Selection rules and quasi selection rules in three-body exchange reactions (1973) (24)
F+H2 collisions on two electronic potential energy surfaces: Quantum‐mechanical study of the collinear reaction (1979) (23)
Ab initio conical intersections for the Na+H2 system: A four-state study (2003) (23)
Integral total reactive cross section calculations within the infinite order sudden approximation (1979) (23)
Arrangement channel approach to atom–diatom reactive systems: Theory and accurate three‐dimensional probabilities for the H+H2 system (1989) (23)
The Toeplitz approach to treating three-dimensional reactive exchange processes: Quantum mechanical cross sections and rate constants for the D+H2 and H+D2 reactions (1997) (22)
Conical intersection revisited: extension to an elliptic form (2002) (22)
Wave-packet approach to treat low energy reactive systems: accurate probabilities for hydrogen atom + hydrogen (1989) (21)
Electronic non-adiabatic transitions: the line integral and approximations (2001) (21)
THREE-DIMENSIONAL QUANTUM MECHANICAL TREATMENT OF THE REACTION NE + H2+ NEH+ + H (1997) (21)
QUANTUM MECHANICAL THEORY OF REACTIVE COLLISIONS VIA ELECTRONIC NONADIABATIC TRANSITIONS. THE THREE-DIMENSIONAL F(2P3/2, 2P1/2) + H2 SYSTEM AS A TEST CASE (1995) (21)
A quasiclassical trajectory study of the heavy–light–heavy ClHCl and IHI reactions: Do three‐dimensional partial cross sections oscillate as a function of energy? (1987) (21)
A reactive, two-state, curve-crossing study. A comparison between exact, distorted wave Born approximation, and Landau-Zener results (1978) (21)
Three-dimensional reactive quantum mechanical study for the hydrogen atom + X2 (X = H, D, T) systems: application of negative imaginary arrangement decoupling potentials (1993) (21)
Integral and state-to-state cross sections for the reaction D + H2(νf) → HD(νf) + H: A quantum mechanical study within the infinite order sudden approximation (1984) (21)
Integral and differential cross sections for the heavy-light-heavy cihci reaction. A quantum mechanical study within the infinite order sudden approximation (1984) (21)
A model for reactive nonadiabatic transitions: Comparison between exact numerical and approximate analytical results (1981) (20)
Integral and differential cross sections for the Li+HF→LiF+H process. A comparison between jz quantum mechanical and experimental results (1994) (20)
Cross Sections and Rate-Constants for the F + X2(.nu.=0,j) .fwdarw. XF + X; X = H, D Reactions: A Three-Dimensional Quantum Mechanical Calculation (1995) (20)
A quasiclassical trajectory study of the heavy-light-heavy Cl-HCl reaction: Oscillating energy-dependent cross sections (1985) (20)
Vibrational state‐to‐state calculations of H++O2 charge transfer collisions (1992) (20)
Theoretical studies of reactions in a laser field: F(2P3/2, 2P1/2) + H2+ ħω (0.469 eV) (1983) (20)
Theory of Reactive Scattering. III. Exact Quantum‐Mechanical Calculations for a Three‐Dimensional Model for Three‐Body Rearrangements (1972) (20)
Moderation Processes in Hot Atom Chemistry (1970) (20)
Theory of Reactive Scattering. II. Application of the τ Operator Formalism to a Linear Model for Three Body Rearrangements (1972) (20)
Integral cross sections for the reaction F + H2, (vi = 0) → HF(vf = 0,1,2,3) + H: a quantum-mechanical calculation within the infinite order sudden approximation (1980) (19)
The Electronic Non‐Adiabatic Coupling Term in Molecular Systems: A Theoretical Approach (2003) (19)
Quantum mechanical studies of ion-molecule reactions: the He + H/sub 2//sup +/ and the (Ar + H/sub 2/)/sup +/ systems (1987) (19)
A MODEL STUDY OF SYMMETRIC LIGHT ATOM TRANSFER REACTIONS (1985) (18)
A new version of the reactive infinite-order sudden approximation: The incorporation of optical potentials (1990) (18)
The topological spin as a new assignment of electronic manifolds in molecular systems (2000) (18)
Coplanar and collinear quantum mechanical reactive scattering: The importance of virtual vibrational channels in the H + H2 exchange reaction (1974) (18)
A novel intraline of conical intersections for methylamine: A theoretical study (2009) (18)
Variational (time-independent) calculations of reactive S matrix elements: application of negative imaginary absorbing potentials and contracted L2 basis sets (1992) (18)
Four mathematical dimensional quantum mechanical studies of tetra-atom systems: State-to-state J=0 probabilities for the H2+OH→H2O+H reaction (1997) (17)
Arrangement channel approach to reactive systems: accurate three-dimensional probabilities for the hydrogen atom + hydrogen system (1987) (17)
Quantal and semiclassical studies of the (CO2) laser-induced reaction: F(2P1/2) + H2 → [F(2P3/2) + H2; HF + H] (1984) (17)
Nonadiabatic transitions in chemical reactions: A quantum mechanical study (1975) (17)
Test of trajectory calculations against quantum mechanical state-to-state and thermal collinear reaction rates for H + Cl2 → HCl + Cl (1979) (17)
On the accuracy of reactive scattering calculations with absorbing potentials: a new implementation based on a generalized R-matrix propagation (1998) (17)
Quantum mechanical treatment of the H2 + OH ⇔ H + H reactions. Calculations of cross sections and rate constants (1995) (17)
The open path phase for degenerate and non-degenerate systems and its relation to the wave-function modulus (2004) (17)
Some properties of electronic non-adiabatic coupling terms (2002) (17)
Classical trajectory treatment of diatomic molecules reacting with solid surfaces: a study of mass effects (1985) (16)
A coplanar quantum mechanical study of the exchange reaction HF+H (1976) (16)
A tri-atomic Renner-Teller system entangled with Jahn-Teller conical intersections. (2013) (16)
An exact quantum mechanical treatment of charge transfer at low energies for the H++H2 reactive collinear system (1976) (16)
Classification of topological effects in molecular systems (2000) (16)
A three-dimensional quantum mechanical study of the reaction O + O3 → 2O2 employing a six-dimensional potential energy surface (1994) (16)
A classical reactive study within the infinite order sudden approximation: integral cross sections for the reactions F + H2vi = 0) → HF(vf = 0,1,2,3) + H (1981) (15)
Degenerate conical intersections: The interaction between the 3 2A′ and 4 2A′ electronic states of C2H as a case study (2001) (15)
A propagator method for integration of classical trajectory equations (1977) (15)
BKLT equations for reactive scattering. I. Theory and application to three finite mass atom systems (1983) (15)
Quantal study of laser-induced transitions between electronic potential energy surfaces in reactive atomic fluorine + molecular hydrogen collisions (1983) (15)
Special Solutions of the Integral Equations for Hot Reactions (1969) (15)
Dressed adiabatic and diabatic potentials to study conical intersections for F + H2. (2012) (15)
Ab initio study of nonadiabatic coupling matrix elements between excited 22A' and 32A' electronic states of C2H (2001) (14)
The adiabatic-to-diabatic transformation angle and the berry phase for coupled jahn–teller/renner–teller systems: The F + H2 as a case study (2012) (14)
An approximate three-dimensional quantum-mechanical study of the Li+HF→LiF+H reaction (1989) (14)
Quantum-mechanical reactive transition probability. Application of the arrangement channel approach (1982) (14)
A three‐dimensional quantum mechanical study of the NH+NO reactions (1996) (14)
On the Conical Intersection and the Possibility of a New Assignment for Molecular Systems (2001) (14)
Reactive (dissociative) diatom–solid surface collision: A quantum mechanical approach (1984) (14)
Quantum-mechanical cross sections for the D + H2 and H + D2 reactive systems. Application of the negative imaginary potentials within the jz approximation (1993) (14)
A quantum mechanical study of the reactive F + H2 system. A comparison between approximate (jz), exact and quasi-classical cross sections (1995) (13)
On the reactive infinite order sudden approximation S matrix (1984) (13)
Quantal ios calculations of differential cross sections for vibrational excitation and vibronic charge transfer in H+ + O2 collisions (1989) (13)
A quasiclassical trajectory study of the F+D2→FD+D reaction (1983) (13)
A quantum-mechanical study of chemical reaction and charge-transfer processes in the (Ar + H2)+ system (1986) (13)
Analytical fitting of potential energy surfaces for the Hxy systems (1986) (12)
Space-time contours to treat intense field-dressed molecular states. I. Theory. (2007) (12)
Energy Distribution of Energetic Atoms in a Gaseous Medium. I. Elastic Scattering of Particles by Spherical Potentials of the Form V(r) = (A1/rS1) + (A2/rS2) (1967) (12)
Reciprocity between moduli and phases in time-dependent wave functions (1999) (12)
A high energy classical trajectory study of the reactions O(3P) + H2 → OH + H and O(su(3)P)+H2→ O + H + H (1981) (12)
Strong isotope effects in the F+HD reactions at the low-energy interval: a quantum-mechanical study (1999) (12)
The Berry phase revisited: application to Born–Oppenheimer molecular systems (2004) (12)
A kinetic study of acrylamide polymerization initiated by 4.4′‐azo‐bis‐4‐cyanopentanoic acid in aqueous solution (1972) (12)
Potential Energy Surfaces for the H + HX (X = F, C1, Br, I) Abstraction and Exchange Reaction Channels Calculated by the Modified DIM Method (1981) (12)
A study of light-heavy mass type molecules reacting with a solid surface (1985) (12)
Trajectory studies within the framework of the infinite order sudden approximation for the F+H2→HF+H reaction (1983) (12)
Dressed adiabatic and diabatic potentials to study topological effects for F + H2. (2014) (11)
Born−Oppenheimer Time-Dependent Systems: Perturbative vs Nonperturbative Diabatization (2003) (11)
Quantum Dynamical Rate Constant for the H + O3 Reaction Using a Six-Dimensional Double Many-Body Expansion Potential Energy Surface (1997) (11)
Quantum mechanical cross sections for the isotopic reactions H+X2O,X=H,D: A comparison with experiment and with other calculations (1999) (11)
Topological effects for nonsymmetrical configurations: the C2H+2 as a case study. (2007) (11)
Exact quantum mechanical three-dimensional reactive probabilities for the D + H2 system: variational calculations based on negative imaginary absorbing potentials (1992) (11)
A field theoretical approach to calculate electronic Born-Oppenheimer coupling terms. (2004) (11)
Arrangement-channel approach to reactive systems: Generalizations with new insight (1988) (11)
A theoretical study of exothermic reactions (1977) (11)
Dressed adiabatic and diabatic potentials for the Renner-Teller/Jahn-Teller F + H2 system. (2013) (10)
Calculation of the density of states using discrete variable representation and Toeplitz matrices (1995) (10)
Curl equations as substratum for the derivation of the electronic nonadiabatic coupling terms (2002) (10)
Photodissociation of H2(+) upon exposure to an intense pulsed photonic Fock state. (2009) (10)
Space-time contours to treat the interaction between an intense electric field and a molecular system. (2006) (10)
Curl condition revisited (2001) (10)
Assigning signs to the electronic nonadiabatic coupling terms: the H2,O system as a case study. (2005) (9)
The effect of a potential well in the quasi-asymptotic region of a potential energy surface on the dynamics of the F + H2 reaction (1996) (9)
Derivation of diabatic potentials for F + H2 employing non-adiabatic coupling terms (2011) (9)
A Review of Quantum‐Mechanical Approximate Treatments of Three‐Body Reactive Systems (2007) (9)
The electronic nonadiabatic coupling term: can it be ignored in dynamic calculations? (2007) (9)
Diabatization of the reactive F + H2 system employing rigorous Berry phases (2011) (9)
Absorption cross-section of the C2H molecule: proper treatment of the conical intersection (2003) (9)
A study of the parallel molecule–surface reaction HCl+surface→H⋅⋅⋅surface+Cl: A comparison between quantum mechanical and quasiclassical trajectory results (1985) (9)
Moderation processes of hot atoms in a gaseous medium (1969) (9)
Study of Topological Effects Concerning the Lowest A″ and the Three A' States for the CO2(+) Ion. (2016) (9)
Approach to the calculation of high-energy displacement reaction yields (1969) (9)
Theoretical study of the reaction H+D2→HD+D. Possible tunneling processes for high energies (Etr > 2 eV) (1988) (9)
Gauge transformation to study electronic non-adiabatic coupling terms in molecular systems (2002) (9)
Infinite order sudden approximation treatment of the H + D2! HD + D reaction (1987) (8)
Jahn–Teller and coupled Jahn–Teller/Renner–Teller effects in the calculation of adiabatic-to-diabatic transformation angle for the lowest three 2A′ states of NH2 (NHH) (2015) (8)
H2+ photodissociation by an intense pulsed photonic Fock state (2010) (8)
Phase-modulus relations in cyclic wave functions (1999) (8)
The electronic non-adiabatic coupling matrix: A numerical study of the curl condition and the quantization condition employing the Mathieu equation (2003) (8)
Toeplitz matrices within DVR formulation: Application to quantum scattering problems (1994) (8)
Quantum mechanical effects in the three dimensional low energy D+H2→HD+H reaction (1991) (8)
Experimental and calculational consequences of phases in molecules with multiple conical intersections (2003) (8)
Topological study of the H3++ molecular system: H3++ as a cornerstone for building molecules during the Big Bang (2017) (8)
The application of Toeplitz matrices to scattering problems (1993) (8)
Energy Distribution of Energetic Atoms in a Gaseous Medium. II. Elastic Scattering by a Spherical Two‐Term Potential Composed of a Hard and a Soft Term (1968) (8)
A theoretical study of the atmospheric pulsed H2+ F2chemical laser including rotational nonequilibrium effects (1979) (8)
Intralines of quasi-conical intersections on torsion planes: methylamine as a case study. (2009) (8)
BKLT equations for reactive scattering: a successful application to H + H2 (1983) (8)
Two-state versus three-state quantization: an ab initio study of the three lower states of the {N,H2/A'} system. (2006) (8)
Hierarchical construction of finite diabatic sets by Mathieu functions (2004) (7)
A theoretical study of the pulsed Cl2 + HI chemical laser including nonequilibrium effects (1977) (7)
Preliminary results of RIOS study of state-resolved angular distributions for F + D2 → D + DF (1983) (7)
THE ADIABATIC-DIABATIC APPROACH TO VIBRATIONAL INELASTIC SCATTERING: A BREATHING-SPHERE STUDY (1983) (7)
On the peculiarities of the diabatic framework: new insight. (2004) (7)
Space-time contours to treat intense field-dressed molecular states. (2010) (7)
Topological effects due to conical intersections: A model study of two interacting conical intersections (1999) (7)
Franck-Condon model for collinear reactive systems. Factorization of the reactive vibrational amplitudes and probabilities (1981) (7)
Reply to `On the non-existence of strictly diabatic molecular electronic bases' (2000) (7)
Integral equation approach to atom-diatom exchange processes (1989) (7)
Comparison between Experimental and Three-Dimensional Quantum Mechanical Rate Constants for the NH(D) + NO Reactions (1998) (7)
Arrangement channel approach to reactive systems: theory and numerical algorithms (as applied to the HFH system) (1983) (7)
Nonadiabatic transitions in chemical reactions. A comparison between exact and approximate collinear calculations (1976) (7)
BKLT equation for reactive scattering. II. Extensions and application to collinear nonsymmetric systems (1984) (7)
A quantum-mechanical study of charge transfer steric factors for the three isotopic systems: H+ + H2, D2, HD (1990) (7)
Quantum Mechanical Treatment of Electronic Transitions in Atom-Molecule Collisions (1983) (7)
Quantum mechanical treatment of the collinear H+ + H2 system. Strong electronic transitions due to translational motion (1976) (7)
Necessary Conditions for a Rigorous Minimal Diabatic Potential Matrix (2002) (6)
A theoretical study of saturation effects in three-level laser systems (1980) (6)
Sensitivity of parameters employed in semiempirical treatment of displacement reactions. Comparison between an energy-dependent hard model and a soft model (1971) (6)
A theoretical approach to saturation effects in lasers (1980) (6)
Charge Transfer Processes for H + H2+ Reaction Employing Coupled 3D Wavepacket Approach on Beyond Born-Oppenheimer Based Ab Initio Constructed Diabatic Potential Energy Surfaces. (2021) (6)
Quantum mechanical theory of three-body rearrangements: exact total cross-section calculations for a three-dimensional model (1971) (6)
The electronic adiabatic-to-diabatic transformation matrix and the Wigner rotation matrix (2001) (6)
Three-dimensional quantum mechanical study of exothermic reactive systems (F+H2; Ar + H+2) employing negative imaginary arrangement decoupling potentials (1994) (6)
Characterization of matrix-isolated carbonylchlorocopper. IR spectroscopic investigation and ab initio calculation (1992) (6)
Incorporation of rotational effects into vibrational distributions in chemical reactions (1978) (6)
A Model for the Quantitative Treatment of Hot Displacement Reactions (1969) (6)
A comment on quantum reactive scattering via the S matrix version of the Kohn variational principle: Differential and integral cross sections for D+H2→HD+H (1990) (6)
Time-Dependent Molecular Fields Created by the Interaction of an External Electromagnetic Field with a Molecular System (2014) (6)
Ab initio nonadiabatic coupling elements: the conical intersection between the three lower states of the {H2O} system (2004) (6)
Quantum infinite order sudden approximation for ion‐molecule reactions: Treatment of the He + H 2+ system (1986) (6)
Do intense electromagnetic fields annihilate/create conical intersections? (2007) (6)
The Sudden Approximation for Reactions (1986) (6)
Space-time contours to treat intense field-dressed molecular states. II. Applications. (2007) (5)
Quantum-mechanical treatment for charge-transfer processes in ion-molecule collisions (2007) (5)
Exact quantum cross sections for a three dimensional angle dependent model for three body reactions. (1971) (5)
Vector−Algebra Approach To Obtain Molecular Fields from Conical Intersections: Numerical Applications to H + H2 and Na + H2† (2004) (5)
Quantum-mechanical study of the parallel molecule-surface reaction HCl + S → HS + Cl (1985) (5)
Compensation of the electronic geometric phase by the nuclear part of the wave-function (1999) (5)
Ab initio non-adiabatic coupling elements: Conical intersections of the C2H2 molecule (2005) (5)
Derivation of the phase factor and geometrical phase for an N-state degenerate system (1998) (5)
Adiabatic-diabatic transformations for molecular systems: a model study of two interacting conical intersections (1999) (5)
Comment on the Quantum Mechanical Collinear Model of Three Body Rearrangement Scattering (1972) (5)
Topological studies related to molecular systems formed during the Big Bang: H 3 + as an example (2019) (5)
Comparison between Quantum Mechanical and Classical Treatment of a Hard-Sphere Model for Colinear Three-Body Rearrangement Collisions (1971) (5)
Electronic Diabatic Framework: Restrictions Due to Quantization of the Nonadiabatic Coupling Matrix (2004) (5)
Non-adiabatic coupling as a frictional force in (He, H, H)+ dynamics and the formation of HeH2 + (2020) (4)
A chemisorption study of an adsorbed hydrogen and a gas-phase chlorine: a comparison between quantal and quasiclassical results (1986) (4)
Examination of the Landau-Zener approximation in reactive atom-diatom collisions (1985) (4)
Non-adiabatic coupling as a frictional force in the formation of H3+: a model dynamical study (2020) (4)
Non-adiabatic coupling and conical intersection(s) between potential energy surfaces for HeH2 + (2020) (4)
Derivation of the electronic nonadiabatic coupling field in molecular systems: an algebraic-vectorial approach. (2004) (4)
Ion-molecule collisions (1986) (4)
Application of Toeplitz matrices to scattering processes. A NIP-Toeplitz approach to treating chemical reactions (1995) (4)
Quantization of the ab initio nonadiabatic coupling matrix: The C2H molecule as a case study (2001) (4)
State-to-state time-dependent wavepacket approach to reactivescattering: State-resolved cross-sections forD+H2(v=1, j=1,m)→H+DH(v,j) (1997) (4)
Reactive infinite order sudden rate constants for F + H/sub 2/(v=0, j=0). -->. H + HF(v') (1983) (4)
A treatise on the interaction of molecular systems with short-pulsed highly-intense external fields (2010) (3)
Erratum: “Topological effects due to conical intersections: A model study of two interacting conical intersections” [J. Chem. Phys. 111, 9493 (1999)] (2000) (3)
Analytic-numerical approach to calculate electronic nonadiabatic coupling terms: Study of the C2H molecule and the H2 + H system (2004) (3)
Quantum mechanical treatment of the collinear H+ + H2 system. The uncoupled system (1974) (3)
The Curl–Divergence equations for the electronic non-adiabatic coupling terms: study of the C2H molecule and the H2+H system (2003) (3)
Time-dependent molecular fields created by the interaction of an external electro-magnetic field with a molecular system: the derivation of the wave equations (2016) (3)
Dynamics of gaseous I2 on an iron surface: a study of adsorption and exchange processes at room tempeature (1987) (3)
A quasi-classical trajectory study of molecular desorption: Cl+H…surface→HCl+surface (1988) (3)
Quantum Effects in Three-Dimensional H + D2 Reaction at High Energies (1989) (3)
A new set of space‐averaged time‐dependent equations for laser systems (1981) (3)
Theoretical study of inelastic collisions of hot atoms (1971) (3)
Time dependent laser equations for finite phase memory decay constant (1981) (3)
Toeplitz matrices within discrete variable representation formulation: Application to collinear reactive scattering problems (1996) (3)
Quantum Mechanical Treatment of Electronic Transitions in Atom‐Diatom Exchange Collisions (1982) (3)
Kinetic modeling of rotational nonequilibrium in chemical lasers. A comparison of three models applied to the Cl2/HI/He system (1980) (2)
Rate Constant Calculations for the H + H2 and F + H2 Reaction Systems within the Infinite-Order Sudden Approximation (1981) (2)
The Electronic Non-Adiabatic Coupling Terms: On the Connection between Molecular Physics and Field Theory (2003) (2)
The special theory of relativity as applied to the Born–Oppenheimer–Huang approach (2017) (2)
Born‐Oppenheimer Approach: Diabatization and Topological Matrix (2006) (2)
Reactions of Hot (n, γ)‐Produced 80Br with CH3Br. Comparison with the Reactions between Hot 38Cl and CH3Cl, and Calculation of the Excitation Functions (1972) (2)
Survival Probability of Products of Hot Reactions of (n, γ)‐Produced 38Cl with CH3Cl in the Gas Phase (1971) (2)
Black and white fused silica: modified sol-gel process combined with moth-eye structuring for highly absorbing and diffuse reflecting SiO2 glass. (2020) (2)
A three-dimensional quantum mechanical study of the F + H 2 / D 2 reactions . On a new potential energy surface (2003) (2)
Three-dimensional quantum mechanical study of the NH(X3Σ−)+NO reaction (1998) (1)
Quantum and Classical Connections and Topological Phases: A Study of a Perturbed Rotator † (2001) (1)
Topological Studies related to Molecular Systems formed soon after the Big Bang: HeH2+ as the Precursor for HeH+ (2019) (1)
Photoelectron spectra: a tool of analysis of irradiation dynamics (2012) (1)
Introducing time-dependent molecular fields: a new derivation of the wave equations (2017) (1)
Saturation effects in three-level laser systems with constant loss (1982) (1)
The adiabatic-diabatic approach to vibrational inelastic scattering: Introduction of the distorted wave Born approximation (1981) (1)
Gaseous fission product retention by solid surfaces: Its role in the source term reduction (1986) (1)
Matrix-Investigations on Monomeric Copper(I) Chloride and Its Complexes with N2 and PN Ligands. IR Spectroscopic Results and ab initio Calculations. (1992) (1)
Space-time and space-averaged equations for a two-mirror laser: theory and numerical results. (1983) (1)
Beyond Born-Oppenheimer Constructed Diabatic Potential Energy Surfaces for HeH2. (2023) (0)
Accurate 3 dimensional quantum dynamical study of the Ne 1 H 2 1 ̃ NeH 11 H reaction (1999) (0)
A three-dimensional quantum mechanical study of the NH1NO reactions (2007) (0)
all-cis-1,4,7,10-Cyclododecatetraene (II). X-Ray Structure Analysis and Photoelectron Spectrum. (1990) (0)
On the Quantization of the Electronic Non-Adiabatic Coupling Terms: The H+H2 System as a Case Study (2004) (0)
Collinear quantum mechanical calculations of the He + H$sub 2$$sup +$ proton transfer reaction (1974) (0)
Time-Dependent Wavepacket Approach to Reactive Scattering Using Arrangement Decoupling Absorbing Potentials (1994) (0)
A QUANTUM-MECHANICAL STUDY OF CHARGE TRANSFER STERIC FACTORS FOR THE THREE ISOTOPIC SYSTEMS: H+ +Hz, D2, HD (2001) (0)
HIERARCHICAL METHOD FOR THE DYNAMICS OF METAL CLUSTERS IN CONTACT WITH AN ENVIRONMENT (2008) (0)
Rotationally resolved differential scattering cross sections for the reaction F 1 paraH 2 „ v 5 0 , j 5 0 ... ̃ HF „ v 8 5 2 , 3 , j 8 ... 1 H (1999) (0)
Deposition of Na Clusters on MgO(001) (2010) (0)
Introducing time-dependent molecular fields: a new derivation of the wave equations (2018) (0)
THEORETICAL STUDIES OF REACTIONS IN A LASER FIELD: F('P312, 2Pyz) + H2 + zio (0.469 eV) (1983) (0)
COMMUNICATIONS Three-dimensional quantum mechanical rate constants for the reaction O1O3ò2O2, employing a six-dimensional potential energy surface (2006) (0)
A three-dimensional quantum mechanical study of the H 1 H 2 1 ̃ H 2 1 H 1 system : Competition between chemical exchange and inelastic processes (1997) (0)
Resonance phenomena in quantal reactive infinite-order sudden calculations (1984) (0)
Ju n 20 04 The Open Path Phase for Degenerate and Non-degenerate Systems and its Relation to the Wavefunction Modulus (2008) (0)
Semi-Empirical Potential Energy Surfaces of (ArH2O)+ System. (1994) (0)
Extended Born‐Oppenheimer Approximations (2006) (0)
Exact quantum mechanical study of kinetic isotope effects in the collinear reaction Cl + H$sub 2$ $Yields$ HCl + H. The H$sub 2$/D$sub 2$ and the H$sub 2$/T$sub 2$ isotope effects (1974) (0)
State-to-state time-dependent wavepacket approach to reactive scattering : State-resolved cross-sections for j (1997) (0)
Non-adiabatic coupling as friction in the formation of H3+: A classical mechanical study (2023) (0)
Reply to the ‘‘Comment on reactive diatom–solid surface collisions: A quantum mechanical approach’’ (1985) (0)
1a-WA-10 QUANTUM MECHANICAL APPROACH TO THE ATOM-DIATOM EXCHANGE COLLISION (1985) (0)
(Cu(η2-H2)Cl), a Model Compound for H2 Complexes; IR Spectroscopic Identification and ab initio Calculations (1991) (0)
ENERGY DISTRIBUTION OF ENERGETIC ATOMS IN A GASEOUS MEDIUM. I. ELASTIC SCATTERING OF PARTICLES BY SPHERICAL POTENTIALS OF THE FORM V(r) = A$sub 1$/r/sup S$sub 1$/ + A$sub 2$/r/sup S$sub 2$/. (1966) (0)
Degeneracy Points and Born‐Oppenheimer Coupling Terms as Poles (2006) (0)
Arrangement Channel Quantum Mechanical Approach to Reactive Scattering (1986) (0)
Cross Sections and Rate Constants for Triatomic and Tetraatomic Reactions: Three-Dimensional Quantum Mechanical Calculations (1996) (0)
Quantal and semiclassical studies of reactions in strong laser fields: F(/sup 2/P/sub 3/2/, /sup 2/P/sub 1/2/)+H/sub 2/+h. omega. (0. 117, 0. 469, 1. 17 eV) (1985) (0)
Adiabaticity of the Nonreactive Bond in Atom-Triatom Reactions : A Quantum Mechanical Study of the H + H 20-OH + H 2 System ? (2001) (0)
The Electronic Adiabatic-to-Diabatic Transformation Matrix and the Irreducible Representation of the Rotation Group (2002) (0)
Sensitivity of Parameters Employed in Semiempirical Treatment of Displacement Reactions . Energy-Dependent Hard Model and a Soft Model A Comparison between an (2001) (0)
Dynamics of metal clusters in rare gas clusters (2007) (0)
COLLINEAR QUANTUM MECHANICAL CALCULATlONS OF THE He + Hz PROTON TRANSFER REACTlOw (2001) (0)

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Weizmann Institute of Science
University of Debrecen
Hebrew University of Jerusalem
University of Copenhagen

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