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1

Noble-Gas Hydrides: New Chemistry at Low Temperatures

Khriachtchev, Leonid, Räsänen, Markku, Gerber, R. Benny

Journal:

Accounts of Chemical Research

Année:

2009

Langue:

english

Fichier:

PDF, 342 KB

english, 2009

2

Hygroscopic Growth and Deliquescence of NaCl Nanoparticles Mixed with Surfactant SDS

Harmon, Christopher W., Grimm, Ronald L., McIntire, Theresa M., Peterson, Mark D., Njegic, Bosiljka, Angel, Vanessa M., Alshawa, Ahmad, Underwood, Joelle S., Tobias, Douglas J., Gerber, R. Benny, Gord

Journal:

Journal of Physical Chemistry B

Année:

2010

Langue:

english

Fichier:

PDF, 4.93 MB

english, 2010

3

Femtosecond timescale deactivation of electronically excited peroxides at ice surfaces

Shemesh, Dorit, Gerber, R. Benny

Journal:

Molecular Physics

Année:

2012

Langue:

english

Fichier:

PDF, 1.39 MB

english, 2012

4

Stability of Criegee Intermediates Formed by Ozonolysis of Different Double Bonds

Kalinowski, Jaroslaw, Heinonen, Petri, Kilpeläinen, Ilkka, Räsänen, Markku, Gerber, R. Benny

Journal:

Journal of Physical Chemistry A

Année:

2015

Langue:

english

Fichier:

PDF, 4.12 MB

english, 2015

5

Protonated sugars: vibrational spectroscopy and conformational structure of protonated O -methyl α- D -galactopyranoside

Rudić, Svemir, Xie, Hong-bin, Gerber, R. Benny, Simons, John P.

Journal:

Molecular Physics

Année:

2012

Langue:

english

Fichier:

PDF, 1.07 MB

english, 2012

6

Absorption spectra and aqueous photochemistry of β-hydroxyalkyl nitrates of atmospheric interest

Romonosky, Dian E., Nguyen, Lucas Q., Shemesh, Dorit, Nguyen, Tran B., Epstein, Scott A., Martin, David B.C., Vanderwal, Christopher D., Gerber, R. Benny, Nizkorodov, Sergey A.

Journal:

Molecular Physics

Année:

2015

Langue:

english

Fichier:

PDF, 1.08 MB

english, 2015

7

Autocorrelation of electronic wave-functions: a new approach for describing the evolution of electronic structure in the course of dynamics

Hirshberg, Barak, Gerber, R. Benny, Krylov, Anna I.

Journal:

Molecular Physics

Année:

2018

Langue:

english

Fichier:

PDF, 1.16 MB

english, 2018

8

Ion Reactions in Atmospherically-Relevant Clusters: Mechanisms, Dynamics and Spectroscopic Signatures

Gerber, Robert Benny, McCaslin, Laura, Karimova, Natalia V.

Journal:

Faraday Discussions

Année:

2018

Langue:

english

Fichier:

PDF, 1.15 MB

english, 2018

9

Critical Size for Intracluster Proton Transfer from Water to an Anion

Israel Wolf, Avraham Shapira, Rina Giniger, Yifat Miller, R. Benny Gerber, Ori Cheshnovsky

Journal:

Angewandte Chemie

Année:

2008

Langue:

english

Fichier:

PDF, 329 KB

english, 2008

10

Critical Size for Intracluster Proton Transfer from Water to an Anion

Israel Wolf, Avraham Shapira, Rina Giniger, Yifat Miller, R. Benny Gerber, Ori Cheshnovsky

Journal:

Angewandte Chemie International Edition

Année:

2008

Langue:

english

Fichier:

PDF, 329 KB

english, 2008

11

Early Structural Evolution of Native Cytochrome c after Solvent Removal

Michal Z. Steinberg, Ron Elber, Fred W. McLafferty, R. Benny Gerber, Kathrin Breuker

Journal:

Année:

2008

Langue:

english

Fichier:

PDF, 646 KB

english, 2008

12

A new hybrid algorithm for finding the lowest minima of potential surfaces: Approach and application to peptides

Moshe Goldstein, Erick Fredj, R. Benny Gerber

Journal:

Journal of Computational Chemistry

Année:

2011

Langue:

english

Fichier:

PDF, 1.16 MB

english, 2011

13

Survival of weakly bound quantum clusters in collisions with atoms

Zhiming Li, R.Benny Gerber

Journal:

Chemical Physics Letters

Année:

1994

Langue:

english

Fichier:

PDF, 621 KB

english, 1994

14

The validity of time-dependent self-consistent field approximation for non-stationary vibrational bound states of quantum clusters

Zhiming Li, R. Benny Gerber

Journal:

Chemical Physics Letters

Année:

1995

Langue:

english

Fichier:

PDF, 489 KB

english, 1995

15

Solvation of metal atoms in quantum clusters: structural and vibrational properties of Hg(H2)12 and Mg(H2)12

Sharon Broude, R. Benny Gerber

Journal:

Chemical Physics Letters

Année:

1996

Langue:

english

Fichier:

PDF, 340 KB

english, 1996

16

Vibrational spectroscopy for glycine adsorbed on silicon clusters: Harmonic and anharmonic calculations for models of the Si(1 0 0)-2 × 1 surface

Dorit Shemesh, Jonathan Mullin, Mark S. Gordon, R. Benny Gerber

Journal:

Chemical Physics

Année:

2008

Langue:

english

Fichier:

PDF, 595 KB

english, 2008

17

Predicted stability of the organo-xenon compound HXeCCH above the cryogenic range

Ehud Tsivion, Shmuel Zilberg, R. Benny Gerber

Journal:

Chemical Physics Letters

Année:

2008

Langue:

english

Fichier:

PDF, 344 KB

english, 2008

18

Lifetimes of compounds made of noble-gas atoms with water

Ehud Tsivion, R. Benny Gerber

Journal:

Chemical Physics Letters

Année:

2009

Langue:

english

Fichier:

PDF, 358 KB

english, 2009

19

Vibrational spectroscopy of triacetone triperoxide (TATP): Anharmonic fundamentals, overtones and combination bands

Brina Brauer, Faina Dubnikova, Yehuda Zeiri, Ronnie Kosloff, R. Benny Gerber

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Année:

2008

Langue:

english

Fichier:

PDF, 583 KB

english, 2008

20

Infrared spectrum of HXeI revisited: anharmonic vibrational calculations and matrix isolation experiments

Jan Lundell, Mika Pettersson, Leonid Khriachtchev, Markku Räsänen, Galina M Chaban, R.Benny Gerber

Journal:

Chemical Physics Letters

Année:

2000

Langue:

english

Fichier:

PDF, 84 KB

english, 2000

21

A reflection principle for the control of molecular photodissociation in solids: model simulation for F2 in Ar

R.Benny Gerber, Mikhail V. Korolkov, Jörn Manz, Masha Y. Niv, Burkhard Schmidt

Journal:

Chemical Physics Letters

Année:

2000

Langue:

english

Fichier:

PDF, 835 KB

english, 2000

22

Combined ab initio and anharmonic vibrational spectroscopy calculations for rare gas containing fluorohydrides, HRgF

Jan Lundell, Galina M Chaban, R Benny Gerber

Journal:

Chemical Physics Letters

Année:

2000

Langue:

english

Fichier:

PDF, 137 KB

english, 2000

23

Theoretical study of decomposition pathways for HArF and HKrF

Galina M Chaban, Jan Lundell, R Benny Gerber

Journal:

Chemical Physics Letters

Année:

2002

Langue:

english

Fichier:

PDF, 280 KB

english, 2002

24

Quantum dynamics of large polyatomic systems using classical separable potentials: The computational implementation

Pavel Jungwirth, Erick Fredj, Petra Ždánská, R.Benny Gerber

Journal:

Computers & Chemistry

Année:

1997

Langue:

english

Fichier:

PDF, 957 KB

english, 1997

25

Ab initio calculations of anharmonic vibrational spectroscopy for hydrogen fluoride (HF)n (n=3, 4) and mixed hydrogen fluoride/water (HF)n(H2O)n (n=1, 2, 4) clusters

Galina M Chaban, R.Benny Gerber

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Année:

2002

Langue:

english

Fichier:

PDF, 145 KB

english, 2002

26

Acceleration of Correlation-corrected Vibrational Self-consistent Field Calculation Times for Large Polyatomic Molecules

Liat Pele, Brina Brauer, R. Benny Gerber

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Année:

2007

Langue:

english

Fichier:

PDF, 127 KB

english, 2007

27

Anharmonic vibrational spectroscopy calculations with electronic structure potentials: comparison of MP2 and DFT for organic molecules

Galina M. Chaban, R. Benny Gerber

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Année:

2008

Langue:

english

Fichier:

PDF, 346 KB

english, 2008

28

Matrix-isolation and ab initio study of HXeCCH complexed with acetylene

Alexandra Domanskaya, Alexey V. Kobzarenko, Ehud Tsivion, Leonid Khriachtchev, Vladimir I. Feldman, R. Benny Gerber, Markku Räsänen

Journal:

Chemical Physics Letters

Année:

2009

Langue:

english

Fichier:

PDF, 312 KB

english, 2009

29

Direct calculation of anharmonic vibrational states of polyatomic molecules using density functional theory: spectroscopic tests of recently developed functionals

Nicholas J. Wright, R. Benny Gerber, David J. Tozer

Journal:

Chemical Physics Letters

Année:

2000

Langue:

english

Fichier:

PDF, 70 KB

english, 2000

30

Ultrafast nonadiabatic photodissociation dynamics of F2in solid Ar

M. Sukharev, A. Cohen, Robert Benny Gerber, Tamar Seideman

Journal:

Année:

2009

Langue:

english

Fichier:

PDF, 496 KB

english, 2009

31

A Gate to Organokrypton Chemistry: HKrCCH

Khriachtchev, Leonid, Tanskanen, Hanna, Cohen, Arik, Gerber, R. Benny, Lundell, Jan, Pettersson, Mika, Kiljunen, Harri, Räsänen, Markku

Journal:

Journal of the American Chemical Society

Année:

2003

Langue:

english

Fichier:

PDF, 53 KB

english, 2003

32

Raman and infrared spectra of cellobiose in the solid state: What can be learned from single-molecule calculations?

Hong-bin Xie, Madeleine Pincu, Brina Brauer, R. Benny Gerber, Ilana Bar

Journal:

Chemical Physics Letters

Année:

2011

Langue:

english

Fichier:

PDF, 840 KB

english, 2011

33

Raman and IR spectra of butane: Anharmonic calculations and interpretation of room temperature spectra

Liat Pele, Jiří Šebek, Eric O. Potma, R. Benny Gerber

Journal:

Chemical Physics Letters

Année:

2011

Langue:

english

Fichier:

PDF, 418 KB

english, 2011

34

Structures of the xylose–water complex: Energetics, transitions between conformers and spectroscopy

Lin Jin, John P. Simons, R. Benny Gerber

Journal:

Chemical Physics Letters

Année:

2011

Langue:

english

Fichier:

PDF, 896 KB

english, 2011

35

Hydration of cellobiose: Structure and dynamics of cellobiose –(H2O)n, n = 5–25

Madeleine Pincu, R. Benny Gerber

Journal:

Chemical Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 1.24 MB

english, 2012

36

Decomposition mechanisms and dynamics of N6: Bond orders and partial charges along classical trajectories

Barak Hirshberg, R. Benny Gerber

Journal:

Chemical Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 594 KB

english, 2012

37

Mechanism and electronic transition in the reaction: On the fly dynamics simulations with multi-reference potentials

Jaroslaw Kalinowski, Markku Räsänen, Robert Benny Gerber

Journal:

Chemical Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 559 KB

english, 2012

38

Anharmonic Vibrational Spectroscopy Calculations for Novel Rare-Gas-Containing Compounds: HXeH, HXeCl, HXeBr, and HXeOH

Lundell, Jan, Chaban, Galina M., Gerber, R. Benny

Journal:

Journal of Physical Chemistry A

Année:

2000

Langue:

english

Fichier:

PDF, 56 KB

english, 2000

39

Calculation of Vibrational Transition Frequencies and Intensities in Water Dimer: Comparison of Different Vibrational Approaches

Kjaergaard, Henrik G., Garden, Anna L., Chaban, Galina M., Gerber, R. Benny, Matthews, Devin A., Stanton, John F.

Journal:

Journal of Physical Chemistry A

Année:

2008

Langue:

english

Fichier:

PDF, 129 KB

english, 2008

40

Isomerization and ionization of N2O4 on model ice and silica surfaces

Hanna Lignell, Mychel E. Varner, Barbara J. Finlayson-Pitts, R. Benny Gerber

Journal:

Chemical Physics

Année:

2012

Langue:

english

Fichier:

PDF, 797 KB

english, 2012

41

ChemInform Abstract: Intrinsic Lifetimes and Kinetic Stability in Media of Noble-Gas Hydrides

Gerber, R. Benny, Tsivion, Ehud, Khriachtchev, Leonid, Raesaenen, Markku

Journal:

Année:

2012

Fichier:

PDF, 18 KB

2012

42

Quantum simulations of vibrational dephasing of molecules in a cryogenic environment: HArF in an argon cluster

Pavel Jungwirth, R. Benny Gerber, Mark A. Ratner

Journal:

Israel Journal of Chemistry

Année:

2002

Langue:

english

Fichier:

PDF, 3.48 MB

english, 2002

43

Vibrational Spectra of α-Glucose, β-Glucose, and Sucrose: Anharmonic Calculations and Experiment

Brauer, Brina, Pincu, Madeleine, Buch, Victoria, Bar, Ilana, Simons, John. P., Gerber, R. Benny

Journal:

Journal of Physical Chemistry A

Année:

2011

Langue:

english

Fichier:

PDF, 4.60 MB

english, 2011

44

Direct calculation of anharmonic vibrational states of polyatomic molecules using potential energy surfaces calculated from density functional theory

Wright, Nicholas J., Gerber, R. Benny

Journal:

The Journal of Chemical Physics

Année:

2000

Langue:

english

Fichier:

PDF, 351 KB

english, 2000

45

Vibrational self-consistent field calculations for spectroscopy of biological molecules: new algorithmic developments and applications

Roy, Tapta Kanchan, Gerber, R. Benny

Journal:

Physical Chemistry Chemical Physics

Année:

2013

Langue:

english

Fichier:

PDF, 1.48 MB

english, 2013

46

Quantum Chemical Calculations on Novel Molecules from Xenon Insertion into Hydrocarbons

Lundell, Jan, Cohen, Arik, Gerber, R. Benny

Journal:

Journal of Physical Chemistry A

Année:

2002

Langue:

english

Fichier:

PDF, 143 KB

english, 2002

47

A Small Neutral Molecule with Two Noble-Gas Atoms: HXeOXeH

Khriachtchev, Leonid, Isokoski, Karoliina, Cohen, Arik, Räsänen, Markku, Gerber, R. Benny

Journal:

Journal of the American Chemical Society

Année:

2008

Langue:

english

Fichier:

PDF, 187 KB

english, 2008

48

Photooxidation of Ammonia on TiO 2 as a Source of NO and NO 2 under Atmospheric Conditions

Kebede, Mulu A., Varner, Mychel E., Scharko, Nicole K., Gerber, R. Benny, Raff, Jonathan D.

Journal:

Journal of the American Chemical Society

Année:

2013

Langue:

english

Fichier:

PDF, 517 KB

english, 2013

49

Complexes of HNO3 and NO3− with NO2 and N2O4, and their potential role in atmospheric HONO formation

Kamboures, Michael A., Raff, Jonathan D., Miller, Yifat, Phillips, Leon F., Finlayson-Pitts, Barbara J., Gerber, R. Benny

Journal:

Physical Chemistry Chemical Physics

Année:

2008

Langue:

english

Fichier:

PDF, 432 KB

english, 2008

50

Dynamics of Triplet-State Photochemistry of Pentanal: Mechanisms of Norrish I, Norrish II, and H Abstraction Reactions

Shemesh, Dorit, Lan, Zhenggang, Gerber, R. Benny

Journal:

Journal of Physical Chemistry A

Année:

2013

Langue:

english

Fichier:

PDF, 4.30 MB

english, 2013