Results 31 to 40 of about 163,188 (284)

Theoretical study with dipole moment calculation of new electronic states of the molecule BF

Nanotechnology Reviews, 2016
The potential energy curves for the 45 singlet, triplet, and quintet electronic states in the representation 2s+1Λ(+/-) of the BF molecule have been investigated using the complete active space self-consistent field (CASSCF) method with multireference ...
Al Shawa Sally, El-Kork Nayla, Younes Ghassan, Korek Mahmoud   +3 more
doaj   +1 more source

Ab initio Vibration-Rotation Spectroscopy

CHIMIA, 2004
This review surveys recent theoretical work from our group in the area of vibration-rotation spectroscopy. It addresses the computation of anharmonic force fields and spectroscopic constants in the context of rovibrational perturbation theory as
Walter Thiel
doaj   +1 more source

Predicting and verifying transition strengths from weakly bound molecules

, 2010
We investigated transition strengths from ultracold weakly bound 41K87Rb molecules produced via the photoassociation of laser-cooled atoms. An accurate potential energy curve of the excited state (3)1Sigma+ was constructed by carrying out direct ...
D. Akamatsu, G. Herzberg, J. Kobayashi, K. Aikawa, M. Hayashi, M. Ueda, R. V. Krems, S. Inouye   +7 more
core   +1 more source

High resolution spectroscopy of methyltrioxorhenium: towards the observation of parity violation in chiral molecules [PDF]

, 2010
Originating from the weak interaction, parity violation in chiral molecules has been considered as a possible origin of the biohomochirality. It was predicted in 1974 but has never been observed so far.
Alexander Shelkovnikov, Amy-Klein, Anne Amy-Klein, Arimondo, Asselin, Asselin, Auerbach, Avalos, Barra, Bast, Bast, Benoît Darquié, Berger, Berger, Bernard, Bonner, Chardonnet, Chardonnet, Christian Chardonnet, Christophe Daussy, Clara Stoeffler, Crassous, Crassous, Darquié, Daussy, De Montigny, De Montigny, Faglioni, Figgen, Figgen, Figgen, Figgen, Gajzago, Goubet, Harris, Hegstrom, Herman, Herrmann, Herzberg, Jeanne Crassous, Keszthelyi, Khriplovich, Lassen, Laure Guy, Letokhov, Margulès, Marrel, Meierheinrich, Mink, Parker, Pascale Soulard, Pickett, Pierre Asselin, Quack, Quack, Quack, Rein, Schwerdtfeger, Schwerdtfeger, Schwerdtfeger, Shelkovnikov, Shelkovnikov, Shinitzky, Sickafoose, Sullivan, Thérèse R. Huet, Wesendrup, Wikrent, Ya Zel'dovich, Yamagata, Ziskind   +70 more
core   +3 more sources

A reatividade do estado excitado triplete de 1,3-indanodiona em benzeno Triplet excited state reactivity of 1,3-indandione in benzene solution

Química Nova, 2007
Rate constants for the quenching of 1,3-indandione (1) triplet by olefins and by hydrogen and electron donors were obtained employing the laser flash photolysis technique in benzene solution.
Frances R. dos Santos, Mônica T. da Silva, José Carlos Netto-Ferreira, Nanci C. de Lucas   +3 more
doaj   +1 more source

Towards the electron EDM search. Theoretical study of PbF

, 2010
We report ab initio relativistic correlation calculations of potential curves and spectroscopic constants for four lowest-lying electronic states of the lead monofluoride.
A. B. Alekseyev, A. N. Petrov, A. V. Titov, E. D. Commins, I. B. Khriplovich, J. Brown, K. I. Baklanov, K. P. Huber, L. D. Landau, L. D. Landau, M. G. Kozlov, R. J. Buenker   +11 more
core   +1 more source

Fundamental optical and magneto-optical constants of Co/Pt and CoNi/Pt multilayered films [PDF]

, 1996
A study has been made of the optical and magneto-optical properties of several Co/Pt and CoNi/Pt multilayered films that were fabricated by magnetron sputter deposition.
Atkinson, R., Grundy, P.J., Lodder, J.C., Meng, Q., Meng, Q., Pahirathan, S., Salter, I.W., Tatnall, C.J.   +7 more
core   +2 more sources

Sequence determinants of RNA G‐quadruplex unfolding by Arg‐rich regions

FEBS Letters, EarlyView.
We show that Arg‐rich peptides selectively unfold RNA G‐quadruplexes, but not RNA stem‐loops or DNA/RNA duplexes. This length‐dependent activity is inhibited by acidic residues and is conserved among SR and SR‐related proteins (SRSF1, SRSF3, SRSF9, U1‐70K, and U2AF1).
Naiduwadura Ivon Upekala De Silva, Puspa Kunwar, Md Ibnul Rifat Rahman, Joanna Koryo Kwao, Nathan Lehman, Zihan Zhang, Trenton Paul, Claire Cheng, Nicholas Truex, Hui‐Ting Lee, Jun Zhang   +10 more
wiley   +1 more source

Linearized Coupled Cluster Correction on the Antisymmetric Product of 1 reference orbital Geminals

, 2015
We present a Linearized Coupled Cluster (LCC) correction based on an Antisymmetric Product of 1 reference orbital Geminals (AP1roG) reference state. In our LCC ansatz, the cluster operator is restricted to double and to single and double excitations as ...
Ayers, Paul W., Boguslawski, Katharina
core   +2 more sources

Hands‐on protocol for preparing water‐soluble fractions from agri‐food samples for NMR‐based metabolomics analysis

FEBS Open Bio, EarlyView.
This research protocol outlines a workflow for nuclear magnetic resonance (NMR)‐based metabolomics in the agri‐food sector. Using two case studies—strawberry leaves (solid matrix) and wine (liquid matrix)—it details the procedures for sample preparation, data acquisition, and processing.
Andrea Fernández‐Veloso, Jaime Hiniesta‐Valero, Alejandra Guerra‐Castellano, Miguel A. De la Rosa, Irene Díaz‐Moreno   +4 more
wiley   +1 more source